Year |
Citation |
Score |
2021 |
Kong FF, Tian XJ, Zhang Y, Yu YJ, Jing SH, Zhang Y, Tian GJ, Luo Y, Yang JL, Dong ZC, Hou JG. Probing intramolecular vibronic coupling through vibronic-state imaging. Nature Communications. 12: 1280. PMID 33627671 DOI: 10.1038/s41467-021-21571-z |
0.335 |
|
2021 |
Xu J, Zhu X, Tan S, Zhang Y, Li B, Tian Y, Shan H, Cui X, Zhao A, Dong Z, Yang J, Luo Y, Wang B, Hou JG. Determining structural and chemical heterogeneities of surface species at the single-bond limit. Science (New York, N.Y.). 371: 818-822. PMID 33602852 DOI: 10.1126/science.abd1827 |
0.339 |
|
2021 |
Wang RP, Yang B, Fu Q, Zhang Y, Zhu R, Dong XR, Zhang Y, Wang B, Yang JL, Luo Y, Dong ZC, Hou JG. Raman Detection of Bond Breaking and Making of a Chemisorbed Up-Standing Single Molecule at Single-Bond Level. The Journal of Physical Chemistry Letters. 1961-1968. PMID 33591760 DOI: 10.1021/acs.jpclett.1c00074 |
0.31 |
|
2020 |
Zhuo Z, Wu X, Yang J. Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility. Nanoscale. PMID 32940310 DOI: 10.1039/D0Nr03869E |
0.308 |
|
2020 |
Hou T, Luo Q, Li Q, Zu H, Cui P, Chen S, Lin Y, Chen J, Zheng X, Zhu W, Liang S, Yang J, Wang L. Modulating oxygen coverage of TiCT MXenes to boost catalytic activity for HCOOH dehydrogenation. Nature Communications. 11: 4251. PMID 32843636 DOI: 10.1038/S41467-020-18091-7 |
0.31 |
|
2020 |
Liao F, Huang W, Chen B, Ding Z, Li X, Su H, Wang T, Wang Y, Miao H, Zhang X, Luo Y, Yang J, Zhang G. Are pyridinium ylides radicals? Chemical Communications (Cambridge, England). PMID 32839790 DOI: 10.1039/D0Cc04604C |
0.39 |
|
2020 |
Qin X, Liu J, Hu W, Yang J. Interpolative Separable Density Fitting Decomposition for Accelerating Hartree-Fock Exchange Calculations within Numerical Atomic Orbitals. The Journal of Physical Chemistry. A. PMID 32538084 DOI: 10.1021/Acs.Jpca.0C02826 |
0.307 |
|
2020 |
Gao Y, Liu X, Hu W, Yang J. Tunable n-type and p-type doping of two-dimensional layered PdSevia organic molecular adsorption. Physical Chemistry Chemical Physics : Pccp. PMID 32507864 DOI: 10.1039/D0Cp01484B |
0.357 |
|
2020 |
Li X, Zhu L, Li B, Li J, Gao P, Yang L, Zhao A, Luo Y, Hou J, Zheng X, Wang B, Yang J. Molecular molds for regularizing Kondo states at atom/metal interfaces. Nature Communications. 11: 2566. PMID 32444665 DOI: 10.1038/S41467-020-16402-6 |
0.447 |
|
2020 |
Liu X, Gao P, Hu W, Yang J. Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells. The Journal of Physical Chemistry Letters. PMID 32354217 DOI: 10.1021/Acs.Jpclett.0C00706 |
0.349 |
|
2020 |
Yuan H, Li Z, Zeng XC, Yang J. A Descriptor-Based Design Principle for Two-Dimensional Single-Atom Catalysts: Carbon Dioxide Electroreduction. The Journal of Physical Chemistry Letters. PMID 32298119 DOI: 10.1021/Acs.Jpclett.0C00676 |
0.333 |
|
2020 |
Liu X, Ding Z, Liu J, Hu W, Yang J. Two-dimensional CaN as a one-dimensional electride [CaN]·2e with ultrahigh conductance. Nanoscale. PMID 32096537 DOI: 10.1039/C9Nr10765G |
0.316 |
|
2020 |
Tian M, Wang J, Liu X, Chen W, Liu Z, Du H, Ma X, Cui X, Zhao A, Shi Q, Wang Z, Luo Y, Yang J, Wang B, Hou JG. Creation of Dirac nodal line by extrinsic symmetry engineering. Nano Letters. PMID 32083884 DOI: 10.1021/Acs.Nanolett.0C00233 |
0.405 |
|
2020 |
Wan Y, Wang L, Xu H, Wu X, Yang J. A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework capable of Visible-Light-Driven Water Splitting. Journal of the American Chemical Society. PMID 32043354 DOI: 10.1021/Jacs.0C00564 |
0.337 |
|
2020 |
Hu W, Liu J, Li Y, Ding Z, Yang C, Yang J. Accelerating excitation energy computation in molecules and solids within linear response time-dependent density functional theory via interpolative separable density fitting decomposition. Journal of Chemical Theory and Computation. PMID 31899646 DOI: 10.1021/Acs.Jctc.9B01019 |
0.315 |
|
2020 |
Chen J, Wu K, Ma H, Hu W, Yang J. Tunable Rashba spin splitting in Janus transition-metal dichalcogenide monolayers via charge doping Rsc Advances. 10: 6388-6394. DOI: 10.1039/D0Ra00674B |
0.332 |
|
2020 |
Yang B, Chen G, Ghafoor A, Zhang Y, Zhang Y, Zhang Y, Luo Y, Yang J, Sandoghdar V, Aizpurua J, Dong Z, Hou JG. Sub-nanometre resolution in single-molecule photoluminescence imaging Nature Photonics. 14: 693-699. DOI: 10.1038/S41566-020-0677-Y |
0.39 |
|
2020 |
Liu Z, Ren Z, Zhu W, Wang Z, Yang J. Electronic and Magnetic Structure of Infinite-layer $\textrm{NdNiO}_2$: Trace of Antiferromagnetic Metal Arxiv: Strongly Correlated Electrons. 5: 1-8. DOI: 10.1038/S41535-020-0229-1 |
0.357 |
|
2020 |
Hu W, Qin X, Jiang Q, Chen J, An H, Jia W, Li F, Liu X, Chen D, Liu F, Zhao Y, Yang J. High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight Chinese Science Bulletin. DOI: 10.1016/J.Scib.2020.06.025 |
0.329 |
|
2020 |
Zhou C, Li Z, Yang J. Platinum doped alkali earth metal oxides as a qubit candidate Computational Materials Science. 181: 109754. DOI: 10.1016/J.Commatsci.2020.109754 |
0.316 |
|
2020 |
Fu C, Zhao C, Zheng Q, Li X, Zhao J, Yang J. Halogen modified two-dimensional covalent triazine frameworks as visible-light driven photocatalysts for overall water splitting Science China-Chemistry. 63: 1134-1141. DOI: 10.1007/S11426-020-9766-5 |
0.353 |
|
2019 |
Tan S, Feng H, Zheng Q, Cui X, Zhao J, Luo Y, Yang J, Wang B, Hou JG. Interfacial hydrogen-bonding dynamics in surface-facilitated dehydrogenation of water on TiO(110). Journal of the American Chemical Society. PMID 31842546 DOI: 10.1021/Jacs.9B09132 |
0.435 |
|
2019 |
Wang Y, Li X, Yang J. Spin-flip excitations induced by dehydrogenation in a magnetic single-molecule junction. The Journal of Chemical Physics. 151: 224704. PMID 31837665 DOI: 10.1063/1.5129288 |
0.357 |
|
2019 |
Wang H, Luo Q, Liu W, Lin Y, Guan Q, Zheng X, Pan H, Zhu J, Sun Z, Wei S, Yang J, Lu J. Quasi PdNi single-atom surface alloy catalyst enables hydrogenation of nitriles to secondary amines. Nature Communications. 10: 4998. PMID 31676812 DOI: 10.1038/S41467-019-12993-X |
0.3 |
|
2019 |
Cao L, Luo Q, Chen J, Wang L, Lin Y, Wang H, Liu X, Shen X, Zhang W, Liu W, Qi Z, Jiang Z, Yang J, Yao T. Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction. Nature Communications. 10: 4849. PMID 31649237 DOI: 10.1038/S41467-019-12886-Z |
0.314 |
|
2019 |
Qin X, Hu W, Yang J. Tunable Schottky and Ohmic contacts in graphene and tellurene van der Waals heterostructures. Physical Chemistry Chemical Physics : Pccp. PMID 31624813 DOI: 10.1039/C9Cp04654B |
0.305 |
|
2019 |
Li X, Li X, Yang J. Room-Temperature Ferromagnetism in Transition Metal Embedded Borophene Nanosheets. The Journal of Physical Chemistry Letters. PMID 31318221 DOI: 10.1021/Acs.Jpclett.9B01667 |
0.332 |
|
2019 |
Luo Y, Chen G, Zhang Y, Zhang L, Yu Y, Kong F, Tian X, Zhang Y, Shan C, Luo Y, Yang J, Sandoghdar V, Dong Z, Hou JG. Electrically Driven Single-Photon Superradiance from Molecular Chains in a Plasmonic Nanocavity. Physical Review Letters. 122: 233901. PMID 31298910 DOI: 10.1103/Physrevlett.122.233901 |
0.4 |
|
2019 |
Li X, Yang J. Towards Room-Temperature Magnetic Semiconductors in Two Dimensional Ferrimagnetic Organometallic Lattice. The Journal of Physical Chemistry Letters. PMID 31034233 DOI: 10.1021/Acs.Jpclett.9B00769 |
0.32 |
|
2019 |
Wang Y, Li X, Yang J. Electronic and magnetic properties of CoPc and FePc molecules on graphene: the substrate, defect, and hydrogen adsorption effects. Physical Chemistry Chemical Physics : Pccp. PMID 30793133 DOI: 10.1039/C8Cp07091A |
0.389 |
|
2019 |
Zhuang S, Liao L, Yuan J, Xia N, Zhao Y, Wang C, Gan Z, Yan N, He L, Li J, Deng H, Guan Z, Yang J, Wu Z. Fcc vs Non-fcc Structural Isomerism of Gold Nanoparticles with Kernel Atom Packing-Dependent Photoluminescence. Angewandte Chemie (International Ed. in English). PMID 30719808 DOI: 10.1002/Anie.201813426 |
0.311 |
|
2019 |
Zhang Y, Yang B, Ghafoor A, Zhang Y, Zhang Y, Wang R, Yang J, Luo Y, Dong Z, Hou JG. Visually constructing the chemical structure of a single molecule by scanning Raman picoscopy National Science Review. 6: 1169-1175. DOI: 10.1093/Nsr/Nwz180 |
0.375 |
|
2019 |
Wu K, Ma H, Gao Y, Hu W, Yang J. Highly-efficient heterojunction solar cells based on two-dimensional tellurene and transition metal dichalcogenides Journal of Materials Chemistry. 7: 7430-7436. DOI: 10.1039/C9Ta00280D |
0.303 |
|
2019 |
Zhao W, Zhang L, Luo Q, Hu Z, Zhang W, Smith S, Yang J. Single Mo1(Cr1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia Acs Catalysis. 9: 3419-3425. DOI: 10.1021/Acscatal.8B05061 |
0.323 |
|
2019 |
Zhao Y, Li B, Yin R, Wang Y, Yang J, Zhang Z, Wang B. Spin Selection Rule in Single-Site Catalysis of Molecular Oxygen Adsorption on Transition-Metal Phthalocyanines The Journal of Physical Chemistry C. 123: 28158-28167. DOI: 10.1021/Acs.Jpcc.9B07720 |
0.366 |
|
2018 |
Yang S, Liu Y, Gao P, Zhang T, Zhu X, Zhang M, Chen M, Du P, Wang GW, Ji H, Yang J. Azide Passivation of Black Phosphorus Nanosheets: Covalent Functionalization Affords Ambient Stability Enhancement. Angewandte Chemie (International Ed. in English). PMID 30536864 DOI: 10.1002/Anie.201813218 |
0.335 |
|
2018 |
Hu L, Kang L, Yang J, Huang B, Liu F. Significantly enhanced magnetoresistance in monolayer WTevia heterojunction engineering: a first-principles study. Nanoscale. PMID 30465685 DOI: 10.1039/C8Nr04391D |
0.309 |
|
2018 |
Wang Y, Li X, Zheng X, Yang J. Manipulation of spin and magnetic anisotropy in bilayer magnetic molecular junctions. Physical Chemistry Chemical Physics : Pccp. PMID 30306171 DOI: 10.1039/C8Cp05759A |
0.328 |
|
2018 |
Xin N, Li X, Jia C, Gong Y, Li M, Wang S, Zhang G, Yang J, Guo X. Tuning Charge Transport in Aromatic-Ring Single-Molecule Junctions via Ionic Liquid Gating. Angewandte Chemie (International Ed. in English). PMID 30215882 DOI: 10.1002/Anie.201807465 |
0.35 |
|
2018 |
Liu Z, Wang H, Sun J, Sun R, Wang ZF, Yang J. Penta-PtN: an ideal two-dimensional material for nanoelectronics. Nanoscale. PMID 30118120 DOI: 10.1039/C8Nr05561K |
0.312 |
|
2018 |
Li P, Li Z, Yang J. Rational Design of Two-Dimensional Anode Materials: BS as a Strained Graphene. The Journal of Physical Chemistry Letters. PMID 30095265 DOI: 10.1021/Acs.Jpclett.8B02035 |
0.335 |
|
2018 |
Zhuang S, Liao L, Zhao Y, Yuan J, Yao C, Liu X, Li J, Deng H, Yang J, Wu Z. Is the kernel-staples match a key-lock match? Chemical Science. 9: 2437-2442. PMID 29732119 DOI: 10.1039/C7Sc05019D |
0.303 |
|
2018 |
Qiu Z, Li P, Li Z, Yang J. Atomistic Simulations of Graphene Growth: From Kinetics to Mechanism. Accounts of Chemical Research. PMID 29493220 DOI: 10.1021/Acs.Accounts.7B00592 |
0.307 |
|
2018 |
He L, Yuan J, Xia N, Liao L, Liu X, Gan Z, Wang C, Yang J, Wu Z. Kernel Tuning and the Non-uniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters. Journal of the American Chemical Society. PMID 29470909 DOI: 10.1021/Jacs.7B12083 |
0.337 |
|
2018 |
Yuan J, Zhang W, Li X, Yang J. A high performance catalyst for methane conversion to methanol: graphene supported single atom Co. Chemical Communications (Cambridge, England). PMID 29435530 DOI: 10.1039/C7Cc08713F |
0.311 |
|
2018 |
Sun J, Li X, Yang J. The roles of buckled geometry and water environment in the excitonic properties of graphitic C3N4. Nanoscale. PMID 29411812 DOI: 10.1039/C7Nr08541A |
0.323 |
|
2018 |
Chen Z, Zhang R, Yang J. A First-Principles Study on Layered C2N-Metal Interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29400982 DOI: 10.1021/Acs.Langmuir.7B03801 |
0.314 |
|
2018 |
Zhuo Z, Wu X, Yang J. Two-dimensional silicon crystals with sizable band gaps and ultrahigh carrier mobility. Nanoscale. PMID 29292469 DOI: 10.1039/C7Nr08172C |
0.337 |
|
2018 |
Zeng X, Zhao S, Li Z, Yang J. Electron-phonon interaction in a Ca 2 N monolayer: Intrinsic mobility of electrene Physical Review B. 98: 155443. DOI: 10.1103/Physrevb.98.155443 |
0.334 |
|
2018 |
Liu Z, Jin Y, Yang Y, Wang ZF, Yang J. Surface alloy engineering in 2D trigonal lattice: giant Rashba spin splitting and two large topological gaps New Journal of Physics. 20: 23041. DOI: 10.1088/1367-2630/Aaab98 |
0.32 |
|
2018 |
Wu H, Luo Q, Zhang R, Zhang W, Yang J. Single Pt atoms supported on oxidized graphene as a promising catalyst for hydrolysis of ammonia borane Chinese Journal of Chemical Physics. 31: 641-648. DOI: 10.1063/1674-0068/31/Cjcp1804063 |
0.322 |
|
2018 |
Lv H, Wu D, Li X, Wu X, Yang J. Two-dimensional transitional metal dihydride crystals with anisotropic and spin-polarized Fermi Dirac cones Journal of Materials Chemistry C. 6: 11243-11247. DOI: 10.1039/C8Tc03489C |
0.331 |
|
2018 |
Yuan H, Li Z, Yang J. Atomically thin semiconducting penta-PdP2 and PdAs2 with ultrahigh carrier mobility Journal of Materials Chemistry C. 6: 9055-9059. DOI: 10.1039/C8Tc03368D |
0.3 |
|
2018 |
Sun Z, Lv H, Zhuo Z, Jalil A, Zhang W, Wu X, Yang J. A new phase of the two-dimensional ReS2 sheet with tunable magnetism Journal of Materials Chemistry C. 6: 1248-1254. DOI: 10.1039/C7Tc05303G |
0.334 |
|
2018 |
Tan S, Feng H, Ji Y, Zheng Q, Shi Y, Zhao J, Zhao A, Yang J, Luo Y, Wang B, Hou JG. Visualizing Elementary Reactions of Methanol by Electrons and Holes on TiO2(110) Surface The Journal of Physical Chemistry C. 122: 28805-28814. DOI: 10.1021/Acs.Jpcc.8B09784 |
0.423 |
|
2018 |
Wan Y, Sun Y, Wu X, Yang J. Ambipolar Half-Metallicity in One-Dimensional Metal–(1,2,4,5-Benzenetetramine) Coordination Polymers via Carrier Doping Journal of Physical Chemistry C. 122: 989-994. DOI: 10.1021/Acs.Jpcc.7B12022 |
0.328 |
|
2017 |
Li Z, Chen S, Sun J, Li X, Qiu H, Yang J. Spatial and thickness dependence of coupling interaction of surface states and influence on transport and optical properties of few-layer Bi2Se3. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29286284 DOI: 10.1088/1361-648X/Aaa476 |
0.301 |
|
2017 |
Yan H, Lin Y, Wu H, Zhang W, Sun Z, Cheng H, Liu W, Wang C, Li J, Huang X, Yao T, Yang J, Wei S, Lu J. Bottom-up precise synthesis of stable platinum dimers on graphene. Nature Communications. 8: 1070. PMID 29057957 DOI: 10.1038/S41467-017-01259-Z |
0.349 |
|
2017 |
Chen H, Li B, Yang J. Proximity Effect Induced Spin Injection in Phosphorene on Magnetic Insulator. Acs Applied Materials & Interfaces. PMID 29035031 DOI: 10.1021/Acsami.7B11454 |
0.313 |
|
2017 |
Hu W, Lin L, Zhang R, Yang C, Yang J. Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons. Journal of the American Chemical Society. PMID 29027456 DOI: 10.1021/Jacs.7B08474 |
0.307 |
|
2017 |
Wang Y, Li X, Zheng X, Yang J. Spin switch in iron phthalocyanine on Au(111) surface by hydrogen adsorption. The Journal of Chemical Physics. 147: 134701. PMID 28987089 DOI: 10.1063/1.4996970 |
0.356 |
|
2017 |
Zhang L, Yu YJ, Chen LG, Luo Y, Yang B, Kong FF, Chen G, Zhang Y, Zhang Q, Luo Y, Yang JL, Dong ZC, Hou JG. Electrically driven single-photon emission from an isolated single molecule. Nature Communications. 8: 580. PMID 28924226 DOI: 10.1038/S41467-017-00681-7 |
0.365 |
|
2017 |
Zhang R, Li Z, Yang J. Two-Dimensional Stoichiometric Boron Oxides as a Versatile Platform for Electronic Structure Engineering. The Journal of Physical Chemistry Letters. PMID 28841375 DOI: 10.1021/Acs.Jpclett.7B01721 |
0.311 |
|
2017 |
Song H, Fu C, Li N, Zhu H, Peng Z, Zhao W, Dai J, Xing L, Huang Z, Chen W, Wang Y, Yang J, Wu K. On the shuttling mechanism of a chlorine atom in a chloroaluminum phthalocyanine based molecular switch. Physical Chemistry Chemical Physics : Pccp. PMID 28805851 DOI: 10.1039/C7Cp03153J |
0.326 |
|
2017 |
Cao Y, Chen S, Luo Q, Yan H, Lin Y, Liu W, Cao L, Lu J, Yang J, Yao T, Wei S. Atomic insight into optimizing hydrogen evolution pathway over a Co1-N4 single-site photocatalyst. Angewandte Chemie (International Ed. in English). PMID 28782165 DOI: 10.1002/Anie.201706467 |
0.314 |
|
2017 |
Zhang Y, Meng QS, Zhang L, Luo Y, Yu YJ, Yang B, Zhang Y, Esteban R, Aizpurua J, Luo Y, Yang JL, Dong ZC, Hou JG. Sub-nanometre control of the coherent interaction between a single molecule and a plasmonic nanocavity. Nature Communications. 8: 15225. PMID 28524881 DOI: 10.1038/Ncomms15225 |
0.384 |
|
2017 |
Cui P, Choi JH, Zeng C, Li Z, Yang J, Zhang Z. A Kinetic Pathway towards High-Density Ordered N Doping of Epitaxial Graphene on Cu(111) Using C5NCl5 Precursors. Journal of the American Chemical Society. PMID 28497683 DOI: 10.1021/Jacs.6B12506 |
0.335 |
|
2017 |
Li X, Lv H, Dai J, Ma L, Zeng XC, Wu X, Yang J. Half-Metallicity in One-Dimensional Metal Trihydride Molecular Nanowires. Journal of the American Chemical Society. PMID 28453273 DOI: 10.1021/Jacs.7B01369 |
0.32 |
|
2017 |
Sun Y, Zhuo Z, Wu X, Yang J. Room-Temperature Ferromagnetism in 2D Fe2Si Nanosheet with Enhanced Spin-Polarization Ratio. Nano Letters. PMID 28441496 DOI: 10.1021/Acs.Nanolett.6B04884 |
0.312 |
|
2017 |
Shen X, Pan Y, Liu B, Yang J, Zeng J, Peng Z. More accurate depiction of adsorption energy on transition metals using work function as one additional descriptor. Physical Chemistry Chemical Physics : Pccp. PMID 28421210 DOI: 10.1039/C7Cp01817G |
0.323 |
|
2017 |
Mao K, Wu X, Yang J. Enhanced selective oxidation of h-BN nanosheet through a substrate-mediated localized charge effect. Physical Chemistry Chemical Physics : Pccp. PMID 28120960 DOI: 10.1039/C6Cp07402B |
0.329 |
|
2017 |
Wang H, Li X, Liu Z, Yang J. ψ-Phosphorene: a new allotrope of phosphorene. Physical Chemistry Chemical Physics : Pccp. PMID 28058442 DOI: 10.1039/C6Cp07944J |
0.337 |
|
2017 |
Hu W, Yang J. Two-dimensional van der Waals heterojunctions for functional materials and devices Journal of Materials Chemistry C. 5: 12289-12297. DOI: 10.1039/C7Tc04697A |
0.342 |
|
2017 |
Fu C, Li X, Luo QQ, Yang J. Two-dimensional multilayer M2CO2 (M = Sc, Zr, Hf) as photocatalysts for hydrogen production from water splitting: a first principles study Journal of Materials Chemistry. 5: 24972-24980. DOI: 10.1039/C7Ta08812D |
0.335 |
|
2017 |
Wang J, Huang J, Meng J, Li Q, Yang J. Enhanced photoelectrochemical performance of anatase TiO2 for water splitting via surface codoping Rsc Advances. 7: 39877-39884. DOI: 10.1039/C7Ra03175K |
0.334 |
|
2017 |
Wang J, Zhang M, Meng J, Li Q, Yang J. Single- and few-layer BiOI as promising photocatalysts for solar water splitting Rsc Advances. 7: 24446-24452. DOI: 10.1039/C7Ra01723E |
0.328 |
|
2017 |
Li P, Li Z, Yang J. Dominant Kinetic Pathways of Graphene Growth in Chemical Vapor Deposition: The Role of Hydrogen Journal of Physical Chemistry C. 121: 25949-25955. DOI: 10.1021/Acs.Jpcc.7B09622 |
0.3 |
|
2017 |
Liu X, Yuan J, Yao C, Chen J, Li L, Bao X, Yang J, Wu Z. Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms The Journal of Physical Chemistry C. 121: 13848-13853. DOI: 10.1021/Acs.Jpcc.7B01730 |
0.3 |
|
2017 |
Wang H, Li B, Yang J. Electronic, Optical, and Mechanical Properties of Diamond Nanowires Encapsulated in Carbon Nanotubes: A First-Principles View The Journal of Physical Chemistry C. 121: 3661-3672. DOI: 10.1021/Acs.Jpcc.6B12864 |
0.327 |
|
2017 |
Li X, Yang J. Low-dimensional half-metallic materials: theoretical simulations and design Wiley Interdisciplinary Reviews: Computational Molecular Science. 7. DOI: 10.1002/Wcms.1314 |
0.301 |
|
2016 |
Liu S, Hu W, Nath JK, Tong J, Hou X, Liu W, Yang J, Liu B. [Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity. Dalton Transactions (Cambridge, England : 2003). PMID 27891542 DOI: 10.1039/C6Dt04261A |
0.316 |
|
2016 |
Wang Y, Zheng X, Yang J. Kondo screening and spin excitation in few-layer CoPc molecular assembly stacking on Pb(111) surface: A DFT+HEOM study. The Journal of Chemical Physics. 145: 154301. PMID 27782491 DOI: 10.1063/1.4964675 |
0.33 |
|
2016 |
Wu X, Zhang R, Yang J. A first-principles study of the thermodynamic and electronic properties of Mg and MgH2 nanowires. Physical Chemistry Chemical Physics : Pccp. PMID 27376680 DOI: 10.1039/C6Cp03183H |
0.325 |
|
2016 |
Hu L, Wu X, Yang J. Mn2C monolayer: a 2D antiferromagnetic metal with high Néel temperature and large spin-orbit coupling. Nanoscale. PMID 27304676 DOI: 10.1039/C6Nr02417C |
0.341 |
|
2016 |
Wang J, Huang J, Meng J, Li Q, Yang J. Double-hole codoped huge-gap semiconductor ZrO2 for visible-light photocatalysis. Physical Chemistry Chemical Physics : Pccp. PMID 27301769 DOI: 10.1039/C6Cp02047J |
0.318 |
|
2016 |
Liu L, Li P, Yuan LF, Cheng L, Yang J. From isosuperatoms to isosupermolecules: new concepts in cluster science. Nanoscale. PMID 27296898 DOI: 10.1039/C6Nr01998F |
0.301 |
|
2016 |
Wang J, Meng J, Li Q, Yang J. Single-layer cadmium chalcogenides: promising visible-light driven photocatalysts for water splitting. Physical Chemistry Chemical Physics : Pccp. PMID 27296472 DOI: 10.1039/C6Cp01001F |
0.347 |
|
2016 |
Qiu Z, Song L, Zhao J, Li Z, Yang J. The Nanoparticle Size Effect in Graphene Cutting: A "Pac-Man" Mechanism. Angewandte Chemie (International Ed. in English). PMID 27218224 DOI: 10.1002/Anie.201602541 |
0.315 |
|
2016 |
Lu D, Wu H, Dai Y, Shi H, Shao X, Yang S, Yang J, Du P. A cycloparaphenylene nanoring with graphenic hexabenzocoronene sidewalls. Chemical Communications (Cambridge, England). PMID 27172905 DOI: 10.1039/C6Cc03002E |
0.308 |
|
2016 |
Zhuo Z, Wu X, Yang J. Two-Dimensional Phosphorous Porous Polymorphs with Tunable Band Gaps. Journal of the American Chemical Society. PMID 27171121 DOI: 10.1021/Jacs.6B02964 |
0.345 |
|
2016 |
Zhang Y, Luo Y, Zhang Y, Yu YJ, Kuang YM, Zhang L, Meng QS, Luo Y, Yang JL, Dong ZC, Hou JG. Visualizing coherent intermolecular dipole-dipole coupling in real space. Nature. 531: 623-7. PMID 27029277 DOI: 10.1038/Nature17428 |
0.417 |
|
2016 |
Du H, Sun X, Liu X, Wu X, Wang J, Tian M, Zhao A, Luo Y, Yang J, Wang B, Hou JG. Surface Landau levels and spin states in bismuth (111) ultrathin films. Nature Communications. 7: 10814. PMID 26964494 DOI: 10.1038/Ncomms10814 |
0.434 |
|
2016 |
Guo H, Saidi WA, Yang J, Zhao J. Nano-scale polar-nonpolar oxide heterostructures for photocatalysis. Nanoscale. PMID 26932200 DOI: 10.1039/C5Nr08689B |
0.318 |
|
2016 |
Gao S, Lin Y, Jiao X, Sun Y, Luo Q, Zhang W, Li D, Yang J, Xie Y. Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel. Nature. 529: 68-71. PMID 26738592 DOI: 10.1038/Nature16455 |
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2016 |
Wang Y, Zheng X, Yang J. Environment-modulated Kondo phenomena in FePc/Au(111) adsorption systems Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125114 |
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2016 |
Fu B, Shi Q, Li Q, Yang J. In-gap localized states induced by adsorbates on silicene Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.085430 |
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2016 |
Sun J, Zhang R, Li X, Yang J. A many-body GW + BSE investigation of electronic and optical properties of C2N Applied Physics Letters. 109: 133108. DOI: 10.1063/1.4963654 |
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2016 |
Hu W, Wang T, Zhang R, Yang J. Effects of interlayer coupling and electric fields on the electronic structures of graphene and MoS2 heterobilayers Journal of Materials Chemistry C. 4: 1776-1781. DOI: 10.1039/C6Tc00207B |
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2016 |
Fu C, Luo Q, Li X, Yang J. Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting Journal of Materials Chemistry. 4: 18892-18898. DOI: 10.1039/C6Ta08769H |
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2016 |
Yan N, Liao L, Yuan J, Lin Y, Weng L, Yang J, Wu Z. Bimetal Doping in Nanoclusters: Synergistic or Counteractive? Chemistry of Materials. 28: 8240-8247. DOI: 10.1021/Acs.Chemmater.6B03132 |
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2016 |
Wang J, Chen S, Li Q, Yang J. Anatase TiO2 codoping with sulfur and acceptor IIB metals for water splitting International Journal of Hydrogen Energy. 41: 13050-13057. DOI: 10.1016/J.Ijhydene.2016.05.073 |
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2016 |
Hu W, Yang J. First-principles study of two-dimensional van der Waals heterojunctions Computational Materials Science. 112: 518-526. DOI: 10.1016/J.Commatsci.2015.06.033 |
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2015 |
Yao C, Lin YJ, Yuan J, Liao L, Zhu M, Weng LH, Yang J, Wu Z. Mono-Cadmium vs Mono-Mercury Doping of Au25 Nanoclusters. Journal of the American Chemical Society. PMID 26595532 DOI: 10.1021/Jacs.5B09627 |
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2015 |
Jiang S, Zhang Y, Zhang R, Hu C, Liao M, Luo Y, Yang J, Dong Z, Hou JG. Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering. Nature Nanotechnology. PMID 26214250 DOI: 10.1038/Nnano.2015.170 |
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2015 |
Liao L, Zhou S, Dai Y, Liu L, Yao C, Fu C, Yang J, Wu Z. Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry. Journal of the American Chemical Society. 137: 9511-4. PMID 26196263 DOI: 10.1021/Jacs.5B03483 |
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2015 |
Liu Q, Li X, Xiao Z, Zhou Y, Chen H, Khalil A, Xiang T, Xu J, Chu W, Wu X, Yang J, Wang C, Xiong Y, Jin C, Ajayan PM, et al. Stable Metallic 1T-WS2 Nanoribbons Intercalated with Ammonia Ions: The Correlation between Structure and Electrical/Optical Properties. Advanced Materials (Deerfield Beach, Fla.). PMID 26177725 DOI: 10.1002/Adma.201502134 |
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2015 |
Jin Y, Li X, Yang J. Single layer of MX3 (M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics. Physical Chemistry Chemical Physics : Pccp. PMID 26118742 DOI: 10.1039/C5Cp02813B |
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2015 |
Li Z, Li X, Yang J. Comparative Study on Electronic Structures of Sc and Ti Contacts with Monolayer and Multilayer MoS2. Acs Applied Materials & Interfaces. 7: 12981-7. PMID 26018612 DOI: 10.1021/Acsami.5B02782 |
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2015 |
Hu L, Zhao J, Yang J. Nano-scale displacement sensing based on van der Waals interactions. Nanoscale. 7: 8962-7. PMID 25920431 DOI: 10.1039/C5Nr00023H |
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2015 |
Feng F, Guo H, Li D, Wu C, Wu J, Zhang W, Fan S, Yang Y, Wu X, Yang J, Ye B, Xie Y. Highly efficient photothermal effect by atomic-thickness confinement in two-dimensional ZrNCl nanosheets. Acs Nano. 9: 1683-91. PMID 25594337 DOI: 10.1021/Nn506473M |
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2015 |
Cheng L, Zhang X, Jin B, Yang J. Superatom-atom super-bonding in metallic clusters: a new look to the mystery of an Au20 pyramid. Nanoscale. 6: 12440-4. PMID 25259476 DOI: 10.1039/C4Nr03550J |
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2015 |
Wang Y, Zheng X, Li B, Yang J. Understanding the Kondo resonance in the d-CoPc/Au(111) adsorption system. The Journal of Chemical Physics. 141: 084713. PMID 25173036 DOI: 10.1063/1.4893953 |
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2015 |
Yan LJ, Cheng LJ, Yang JL. SP3-Hybridization Feature of Ag4 Superatom in Superatomic Molecules Chinese Journal of Chemical Physics. 28: 476-480. DOI: 10.1063/1674-0068/28/Cjcp1505105 |
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2015 |
Zhang R, Li B, Yang J. A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene The Journal of Physical Chemistry C. 119: 2871-2878. DOI: 10.1021/Jp5116564 |
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2015 |
Zhang R, Li B, Yang J. Correction to “A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene” The Journal of Physical Chemistry C. 119: 23294-23294. DOI: 10.1021/Acs.Jpcc.5B09181 |
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2015 |
Yan L, Cheng L, Yang J. Tetrahedral Au17+: A Superatomic Molecule with a Au13 FCC Core The Journal of Physical Chemistry C. 119: 23274-23278. DOI: 10.1021/Acs.Jpcc.5B07917 |
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2015 |
Hu W, Yang J. Defects in Phosphorene Journal of Physical Chemistry C. 119: 20474-20480. DOI: 10.1021/Acs.Jpcc.5B06077 |
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2015 |
Xu C, Cheng L, Yang J. Theoretical investigation on icosahedral C60(FeCp)12: A hybrid of C60and ferrocene International Journal of Quantum Chemistry. 115: 1621-1628. DOI: 10.1002/Qua.24995 |
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2015 |
Qin X, Shang H, Xiang H, Li Z, Yang J. HONPAS: A linear scaling open‐source solution for large system simulations International Journal of Quantum Chemistry. 115: 647-655. DOI: 10.1002/Qua.24837 |
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2014 |
Dai J, Wu X, Yang J, Zeng XC. Porous Boron Nitride with Tunable Pore Size. The Journal of Physical Chemistry Letters. 5: 393-8. PMID 26270717 DOI: 10.1021/Jz4026535 |
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2014 |
Dai J, Wu X, Yang J, Zeng XC. AlxC Monolayer Sheets: Two-Dimensional Networks with Planar Tetracoordinate Carbon and Potential Applications as Donor Materials in Solar Cell. The Journal of Physical Chemistry Letters. 5: 2058-65. PMID 26270493 DOI: 10.1021/Jz500674E |
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2014 |
Hu W, Lin L, Yang C, Yang J. Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes. The Journal of Chemical Physics. 141: 214704. PMID 25481158 DOI: 10.1063/1.4902806 |
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2014 |
Xu C, Cheng L, Yang J. Double aromaticity in transition metal centered double-ring boron clusters M@B2n (M = Ti, Cr, Fe, Ni, Zn; n = 6, 7, 8). The Journal of Chemical Physics. 141: 124301. PMID 25273431 DOI: 10.1063/1.4895727 |
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2014 |
Zhao S, Li Z, Yang J. Obtaining two-dimensional electron gas in free space without resorting to electron doping: an electride based design. Journal of the American Chemical Society. 136: 13313-8. PMID 25188520 DOI: 10.1021/Ja5065125 |
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2014 |
Hu L, Zhao J, Yang J. First principles study of fluorine substitution on two-dimensional germanane. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 335302. PMID 25071091 DOI: 10.1088/0953-8984/26/33/335302 |
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2014 |
Li X, Wu X, Yang J. Half-metallicity in MnPSe₃ exfoliated nanosheet with carrier doping. Journal of the American Chemical Society. 136: 11065-9. PMID 25036853 DOI: 10.1021/Ja505097M |
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2014 |
Mao K, Li L, Zhang W, Pei Y, Zeng XC, Wu X, Yang J. A theoretical study of single-atom catalysis of CO oxidation using Au embedded 2D h-BN monolayer: a CO-promoted O₂ activation. Scientific Reports. 4: 5441. PMID 24962006 DOI: 10.1038/Srep05441 |
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2014 |
Ma C, Sun H, Zhao Y, Li B, Li Q, Zhao A, Wang X, Luo Y, Yang J, Wang B, Hou JG. Evidence of van Hove singularities in ordered grain boundaries of graphene. Physical Review Letters. 112: 226802. PMID 24949783 DOI: 10.1103/Physrevlett.112.226802 |
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2014 |
Wang J, Meng Q, Huang J, Li Q, Yang J. Band structure engineering of anatase TiO2 by metal-assisted P-O coupling. The Journal of Chemical Physics. 140: 174705. PMID 24811653 DOI: 10.1063/1.4873419 |
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2014 |
Meng Q, Guan Z, Huang J, Li Q, Yang J. Electronic and optical properties of TiO2 nanotubes and arrays: a first-principles study. Physical Chemistry Chemical Physics : Pccp. 16: 11519-26. PMID 24803292 DOI: 10.1039/C4Cp01077A |
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2014 |
Huang J, Wang W, Li Q, Yang J. Negative differential resistance devices by using N-doped graphene nanoribbons. The Journal of Chemical Physics. 140: 164703. PMID 24784295 DOI: 10.1063/1.4871739 |
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2014 |
Li X, Wu X, Yang J. Room-temperature half-metallicity in La(Mn,Zn)AsO alloy via element substitutions. Journal of the American Chemical Society. 136: 5664-9. PMID 24673252 DOI: 10.1021/Ja412317S |
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2014 |
Hu W, Xia N, Wu X, Li Z, Yang J. Silicene as a highly sensitive molecule sensor for NH3, NO and NO2. Physical Chemistry Chemical Physics : Pccp. 16: 6957-62. PMID 24595614 DOI: 10.1039/C3Cp55250K |
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2014 |
Li X, Li Z, Yang J. Proposed photosynthesis method for producing hydrogen from dissociated water molecules using incident near-infrared light. Physical Review Letters. 112: 018301. PMID 24483934 DOI: 10.1103/Physrevlett.112.018301 |
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2014 |
Zhong JQ, Qin X, Zhang JL, Kera S, Ueno N, Wee AT, Yang J, Chen W. Energy level realignment in weakly interacting donor-acceptor binary molecular networks. Acs Nano. 8: 1699-707. PMID 24433044 DOI: 10.1021/Nn406050E |
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2014 |
Zhao J, Zheng Q, Petek H, Yang J. Nonnuclear nearly free electron conduction channels induced by doping charge in nanotube-molecular sheet composites. The Journal of Physical Chemistry. A. 118: 7255-60. PMID 24401149 DOI: 10.1021/Jp410460M |
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2014 |
Wang Y, Sun H, Tan S, Feng H, Cheng Z, Zhao J, Zhao A, Wang B, Luo Y, Yang J, Hou JG. Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface. Nature Communications. 4: 2214. PMID 23896829 DOI: 10.1038/Ncomms3214 |
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2014 |
Zhao A, Tan S, Li B, Wang B, Yang J, Hou JG. STM tip-assisted single molecule chemistry. Physical Chemistry Chemical Physics : Pccp. 15: 12428-41. PMID 23788046 DOI: 10.1039/C3Cp51446C |
0.34 |
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2014 |
Zhang J, Li X, Yang J. SiN-SiC nanofilm: A nano-functional ceramic with bipolar magnetic semiconducting character Applied Physics Letters. 104: 172403. DOI: 10.1063/1.4874335 |
0.304 |
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2014 |
Li X, Yang J. CrXTe3 (X = Si, Ge) nanosheets: two dimensional intrinsic ferromagnetic semiconductors Journal of Materials Chemistry C. 2: 7071-7076. DOI: 10.1039/C4Tc01193G |
0.358 |
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2014 |
Guo H, Lu N, Dai J, Zeng XC, Wu X, Yang J. Electronic structure engineering in chemically modified ultrathin ZnO nanofilms via a built-in heterointerface Rsc Advances. 4: 18718-18723. DOI: 10.1039/C4Ra02517B |
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2014 |
Guan Z, Wang W, Huang J, Wu X, Li Q, Yang J. Tunable Electronic and Magnetic Properties of Graphene Flake-Doped Boron Nitride Nanotubes The Journal of Physical Chemistry C. 118: 28616-28624. DOI: 10.1021/Jp5089349 |
0.355 |
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2014 |
Guan Z, Wang J, Huang J, Wu X, Li Q, Yang J. Metal-Free Magnetism and Half-Metallicity of Carbon Nitride Nanotubes: A First-Principles Study The Journal of Physical Chemistry C. 118: 22491-22498. DOI: 10.1021/Jp508617K |
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2014 |
Wang L, He C, Zhang W, Li Z, Yang J. Methanol-Selective Oxidation Pathways on Au Surfaces: A First-Principles Study The Journal of Physical Chemistry C. 118: 17511-17520. DOI: 10.1021/Jp501620H |
0.304 |
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2014 |
Wu P, Zhai X, Li Z, Yang J. Bilayer Graphene Growth via a Penetration Mechanism The Journal of Physical Chemistry C. 118: 6201-6206. DOI: 10.1021/Jp4108156 |
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2014 |
Wang L, Luo Q, Zhang W, Yang J. Transition metal atom embedded graphene for capturing CO: A first-principles study International Journal of Hydrogen Energy. 39: 20190-20196. DOI: 10.1016/J.Ijhydene.2014.10.034 |
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2013 |
Hu W, Li Z, Yang J. Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite. The Journal of Chemical Physics. 139: 154704. PMID 24160530 DOI: 10.1063/1.4824887 |
0.343 |
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2013 |
Wang Z, Pan N, Li Z, Yang J. A first-principles study of ZnO polar surface growth: adsorption of Zn(x)O(y) clusters. The Journal of Chemical Physics. 139: 124704. PMID 24089792 DOI: 10.1063/1.4821749 |
0.312 |
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2013 |
Dai Y, Ni S, Li Z, Yang J. Diffusion and desorption of oxygen atoms on graphene. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 405301. PMID 24025730 DOI: 10.1088/0953-8984/25/40/405301 |
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2013 |
Li X, Zhao J, Yang J. Semihydrogenated BN sheet: a promising visible-light driven photocatalyst for water splitting. Scientific Reports. 3: 1858. PMID 23681171 DOI: 10.1038/Srep01858 |
0.311 |
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2013 |
Huang J, Li Q, Yang J. Tuning the electronic properties of N@C60 molecule: a theoretical study. Journal of Nanoscience and Nanotechnology. 13: 1053-8. PMID 23646570 DOI: 10.1166/Jnn.2013.6116 |
0.343 |
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2013 |
Hu W, Li Z, Yang J. Electronic and optical properties of graphene and graphitic ZnO nanocomposite structures. The Journal of Chemical Physics. 138: 124706. PMID 23556741 DOI: 10.1063/1.4796602 |
0.334 |
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2013 |
Lin C, Zhu X, Feng J, Wu C, Hu S, Peng J, Guo Y, Peng L, Zhao J, Huang J, Yang J, Xie Y. Hydrogen-incorporated TiS2 ultrathin nanosheets with ultrahigh conductivity for stamp-transferrable electrodes. Journal of the American Chemical Society. 135: 5144-51. PMID 23473406 DOI: 10.1021/Ja400041F |
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2013 |
Zhu H, Qin X, Sun X, Yan W, Yang J, Xie Y. Rocking-chair configuration in ultrathin lithium vanadate-graphene hybrid nanosheets for electrical modulation. Scientific Reports. 3: 1246. PMID 23409237 DOI: 10.1038/Srep01246 |
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2013 |
Hu W, Li Z, Yang J. Diamond as an inert substrate of graphene. The Journal of Chemical Physics. 138: 054701. PMID 23406135 DOI: 10.1063/1.4789420 |
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2013 |
Hu W, Li Z, Yang J, Hou J. Nondecaying long range effect of surface decoration on the charge state of NV center in diamond. The Journal of Chemical Physics. 138: 034702. PMID 23343288 DOI: 10.1063/1.4775364 |
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2013 |
Cheng L, Ren C, Zhang X, Yang J. New insight into the electronic shell of Au(38)(SR)(24): a superatomic molecule. Nanoscale. 5: 1475-8. PMID 23334777 DOI: 10.1039/C2Nr32888G |
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2013 |
Jiang H, Wu P, Hou Z, Li Z, Yang J. Orientation-sensitive nonlinear growth of graphene: An epitaxial growth mechanism determined by geometry Physical Review B. 88. DOI: 10.1103/Physrevb.88.054304 |
0.308 |
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2013 |
Tian SX, Wu B, Xia L, Wang Y, Li H, Zeng X, Luo Y, Yang J. Publisher's Note: Coherent interference in the resonant dissociative electron attachment to carbon monoxide [Phys. Rev. A88, 012708 (2013)] Physical Review A. 88. DOI: 10.1103/Physreva.88.019903 |
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2013 |
Lei S, Li B, Huang J, Li Q, Yang J. A First-Principles Investigation of the Carrier Doping Effect on the Magnetic Properties of Defective Graphene Chinese Physics Letters. 30: 77502. DOI: 10.1088/0256-307X/30/7/077502 |
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2013 |
Lei S, Li B, Kan E, Huang J, Li Q, Yang J. Carrier-tunable magnetism of graphene with single-atom vacancy Journal of Applied Physics. 113: 213709. DOI: 10.1063/1.4809562 |
0.355 |
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2013 |
Lei S, Feng W, Li B, Li Q, Zhao A, Wang B, Yang J, Hou JG. Orbital-selective single molecule rectifier on graphene-covered Ru(0001) surface Applied Physics Letters. 102: 163506. DOI: 10.1063/1.4803443 |
0.349 |
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2013 |
Li X, Wu X, Yang J. Control of spin in a La(Mn,Zn)AsO alloy by carrier doping Journal of Materials Chemistry C. 1: 7197-7201. DOI: 10.1039/C3Tc31514B |
0.302 |
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2013 |
Dai J, Wu X, Yang J, Zeng XC. Unusual Metallic Microporous Boron Nitride Networks Journal of Physical Chemistry Letters. 4: 3484-3488. DOI: 10.1021/Jz4018877 |
0.348 |
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2013 |
Dai J, Zhao Y, Wu X, Zeng XC, Yang J. Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure Journal of Physical Chemistry C. 117: 22156-22161. DOI: 10.1021/Jp408347W |
0.301 |
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2013 |
Yuan Y, Cheng L, Yang J. Electronic Stability of Phosphine-Protected Au20 Nanocluster: Superatomic Bonding The Journal of Physical Chemistry C. 117: 13276-13282. DOI: 10.1021/Jp402816B |
0.364 |
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2013 |
Wu Z, Xu L, Zhang W, Ma Y, Yuan Q, Jin Y, Yang J, Huang W. Structure sensitivity of low-temperature NO decomposition on Au surfaces Journal of Catalysis. 304: 112-122. DOI: 10.1016/J.Jcat.2013.04.013 |
0.303 |
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2013 |
Huang J, Wang W, Yang S, Li Q, Yang J. Spin-polarized transport properties of Mn@Au6 cluster Chemical Physics Letters. 590: 111-115. DOI: 10.1016/J.Cplett.2013.10.049 |
0.318 |
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2013 |
Hu W, Li Z, Yang J. Surface and size effects on the charge state of NV center in nanodiamonds Computational and Theoretical Chemistry. 1021: 49-53. DOI: 10.1016/J.Comptc.2013.06.015 |
0.348 |
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2012 |
Zhang K, Fu Q, Pan N, Yu X, Liu J, Luo Y, Wang X, Yang J, Hou J. Direct writing of electronic devices on graphene oxide by catalytic scanning probe lithography. Nature Communications. 3: 1194. PMID 23149739 DOI: 10.1038/Ncomms2200 |
0.42 |
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2012 |
Wang W, Ji Y, Zhang H, Zhao A, Wang B, Yang J, Hou JG. Negative differential resistance in a hybrid silicon-molecular system: resonance between the intrinsic surface-states and the molecular orbital. Acs Nano. 6: 7066-76. PMID 22793258 DOI: 10.1021/Nn302107K |
0.331 |
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2012 |
Tan S, Feng H, Ji Y, Wang Y, Zhao J, Zhao A, Wang B, Luo Y, Yang J, Hou JG. Observation of photocatalytic dissociation of water on terminal Ti sites of TiO2(110)-1 × 1 surface. Journal of the American Chemical Society. 134: 9978-85. PMID 22658233 DOI: 10.1021/Ja211919K |
0.411 |
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2012 |
Yuan L, Li Z, Yang J, Hou JG. Diamondization of chemically functionalized graphene and graphene-BN bilayers. Physical Chemistry Chemical Physics : Pccp. 14: 8179-84. PMID 22569845 DOI: 10.1039/C2Cp40635G |
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2012 |
Dai J, Li Z, Yang J, Hou J. A first-principles prediction of two-dimensional superconductivity in pristine B₂C single layers. Nanoscale. 4: 3032-5. PMID 22481534 DOI: 10.1039/C2Nr12018F |
0.309 |
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2012 |
Kan E, Hu W, Xiao C, Lu R, Deng K, Yang J, Su H. Half-metallicity in organic single porous sheets. Journal of the American Chemical Society. 134: 5718-21. PMID 22440006 DOI: 10.1021/Ja210822C |
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2012 |
Zhao Y, Wu X, Yang J, Zeng XC. Oxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study. Physical Chemistry Chemical Physics : Pccp. 14: 5545-50. PMID 22407363 DOI: 10.1039/C2Cp40081B |
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2012 |
Wu P, Jiang H, Zhang W, Li Z, Hou Z, Yang J. Lattice mismatch induced nonlinear growth of graphene. Journal of the American Chemical Society. 134: 6045-51. PMID 22401172 DOI: 10.1021/Ja301791X |
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2012 |
Xie J, Wu C, Hu S, Dai J, Zhang N, Feng J, Yang J, Xie Y. Ambient rutile VO2(R) hollow hierarchitectures with rich grain boundaries from new-state nsutite-type VO2, displaying enhanced hydrogen adsorption behavior. Physical Chemistry Chemical Physics : Pccp. 14: 4810-6. PMID 22389065 DOI: 10.1039/C2Cp40409E |
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2012 |
Huang J, Xu K, Lei S, Su H, Yang S, Li Q, Yang J. Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance. The Journal of Chemical Physics. 136: 064707. PMID 22360215 DOI: 10.1063/1.3684551 |
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2012 |
Chen F, Hu Z, Ji Y, Zhao A, Wang B, Yang J, Hou JG. Interactions in different domains of truxenone supramolecular assembly on Au(111). Physical Chemistry Chemical Physics : Pccp. 14: 3980-6. PMID 22322404 DOI: 10.1039/C2Cp23190E |
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2012 |
Ni S, Li Z, Yang J. Oxygen molecule dissociation on carbon nanostructures with different types of nitrogen doping. Nanoscale. 4: 1184-9. PMID 22159283 DOI: 10.1039/C1Nr11086A |
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2012 |
Zhu W, Li W, Shi Q, Wang X, Wang X, Yang J, Hou J. Vacancy-induced splitting of the Dirac nodal point in graphene Physical Review B. 85: 73407. DOI: 10.1103/Physrevb.85.073407 |
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2012 |
Shang B, Yuan L, Yang J. First-principles Study of Geometric and Electronic Structures of Si(111)-√7 × √3-In Surface Reconstruction Chinese Journal of Chemical Physics. 25: 403-408. DOI: 10.1088/1674-0068/25/04/403-408 |
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2012 |
Xu K, Hu S, Wu C, Lin C, Lu X, Peng L, Yang J, Xie Y. Highly entangled K0.5V2O5 superlong nanobelt membranes for flexible nonvolatile memory devices Journal of Materials Chemistry. 22: 18214. DOI: 10.1039/C2Jm34031C |
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2012 |
Guo H, Zhao Y, Lu N, Kan E, Zeng XC, Wu X, Yang J. Tunable Magnetism in a Nonmetal-Substituted ZnO Monolayer: A First-Principles Study Journal of Physical Chemistry C. 116: 11336-11342. DOI: 10.1021/Jp2125069 |
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2012 |
Kan E, Ren H, Wu F, Li Z, Lu R, Xiao C, Deng K, Yang J. Why the Band Gap of Graphene Is Tunable on Hexagonal Boron Nitride Journal of Physical Chemistry C. 116: 3142-3146. DOI: 10.1021/Jp2106988 |
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2012 |
Xu K, Huang J, Guan Z, Li Q, Yang J. Transport spin polarization of magnetic C28 molecular junctions Chemical Physics Letters. 535: 111-115. DOI: 10.1016/J.Cplett.2012.03.066 |
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2012 |
Zhang W, Li Z, Wang B, Yang J. Scanning tunneling microscopy and density functional theory combined studies of rutile TiO2
(1 1 0) surface chemistry: Watch surface processes at the atomic scale International Journal of Quantum Chemistry. 113: 89-95. DOI: 10.1002/Qua.24281 |
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2011 |
Feng J, Sun X, Wu C, Peng L, Lin C, Hu S, Yang J, Xie Y. Metallic few-layered VS2 ultrathin nanosheets: high two-dimensional conductivity for in-plane supercapacitors. Journal of the American Chemical Society. 133: 17832-8. PMID 21951158 DOI: 10.1021/Ja207176C |
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2011 |
Shang H, Li Z, Yang J. Implementation of screened hybrid density functional for periodic systems with numerical atomic orbitals: basis function fitting and integral screening. The Journal of Chemical Physics. 135: 034110. PMID 21786990 DOI: 10.1063/1.3610379 |
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2011 |
Wang YF, Tian SX, Yang J. Resonant dissociative electron attachments to cysteine and cystine. Physical Chemistry Chemical Physics : Pccp. 13: 15597-602. PMID 21785790 DOI: 10.1039/C1Cp21267B |
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2011 |
Wu C, Feng F, Feng J, Dai J, Peng L, Zhao J, Yang J, Si C, Wu Z, Xie Y. Hydrogen-incorporation stabilization of metallic VO2(R) phase to room temperature, displaying promising low-temperature thermoelectric effect. Journal of the American Chemical Society. 133: 13798-801. PMID 21634432 DOI: 10.1021/Ja203186F |
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2011 |
Zhao Y, Wu X, Yang J, Zeng XC. Ab initio theoretical study of non-covalent adsorption of aromatic molecules on boron nitride nanotubes. Physical Chemistry Chemical Physics : Pccp. 13: 11766-72. PMID 21603684 DOI: 10.1039/C1Cp20534J |
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2011 |
Fu Q, Yang J, Wang XB. On the electronic structures and electron affinities of the m-benzoquinone (BQ) diradical and the o-, p-BQ molecules: a synergetic photoelectron spectroscopic and theoretical study. The Journal of Physical Chemistry. A. 115: 3201-7. PMID 21449549 DOI: 10.1021/Jp1120542 |
0.352 |
|
2011 |
Li B, Li Z, Yang J, Hou JG. STM studies of single molecules: molecular orbital aspects. Chemical Communications (Cambridge, England). 47: 2747-62. PMID 21293811 DOI: 10.1039/C0Cc03021J |
0.332 |
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2011 |
Tan S, Zhao Y, Zhao J, Wang Z, Ma C, Zhao A, Wang B, Luo Y, Yang J, Hou J. CO 2 dissociation activated through electron attachment on the reduced rutile TiO 2 (110)-1×1 surface Physical Review B. 84: 155418. DOI: 10.1103/Physrevb.84.155418 |
0.431 |
|
2011 |
Liu Q, Li Z, Yang J. Nearly Free Electron State in Graphane Nanoribbon Superlattice Chinese Journal of Chemical Physics. 24: 22-24. DOI: 10.1088/1674-0068/24/01/22-24 |
0.346 |
|
2011 |
Lu N, Yin D, Li Z, Yang J. Structure of Graphene Oxide: Thermodynamics versus Kinetics The Journal of Physical Chemistry C. 115: 11991-11995. DOI: 10.1021/Jp204476Q |
0.335 |
|
2011 |
Kan E, Wu F, Xiang H, Yang J, Whangbo M. Half-Metallic Dirac Point in B-Edge Hydrogenated BN Nanoribbons The Journal of Physical Chemistry C. 115: 17252-17254. DOI: 10.1021/Jp2015269 |
0.33 |
|
2011 |
Liu Y, Wu X, Zhao Y, Zeng XC, Yang J. Half-Metallicity in Hybrid Graphene/Boron Nitride Nanoribbons with Dihydrogenated Edges Journal of Physical Chemistry C. 115: 9442-9450. DOI: 10.1021/Jp201350E |
0.327 |
|
2011 |
Fu Q, Yang J, Luo Y. A First Principles Study on the Dissociation and Rotation Processes of a Single O2 Molecule on the Pt(111) Surface The Journal of Physical Chemistry C. 115: 6864-6869. DOI: 10.1021/Jp200687T |
0.434 |
|
2011 |
Zhang W, Wu P, Li Z, Yang J. First-Principles Thermodynamics of Graphene Growth on Cu Surfaces The Journal of Physical Chemistry C. 115: 17782-17787. DOI: 10.1021/Jp2006827 |
0.318 |
|
2011 |
Wu X, Zhou R, Yang J, Zeng XC. Density-Functional Theory Studies of Step-Kinked Carbon Nanotubes Journal of Physical Chemistry C. 115: 4235-4239. DOI: 10.1021/Jp110717K |
0.303 |
|
2010 |
Hu S, Zhao J, Jin Y, Yang J, Petek H, Hou JG. Nearly free electron superatom states of carbon and boron nitride nanotubes. Nano Letters. 10: 4830-8. PMID 21049977 DOI: 10.1021/Nl1023854 |
0.368 |
|
2010 |
Fu Q, Luo Y, Yang J, Hou J. Understanding the concept of randomness in inelastic electron tunneling excitations. Physical Chemistry Chemical Physics : Pccp. 12: 12012-23. PMID 20714472 DOI: 10.1039/B926310A |
0.447 |
|
2010 |
Ren H, Yang J, Luo Y. Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra. The Journal of Chemical Physics. 133: 064702. PMID 20707581 DOI: 10.1063/1.3474807 |
0.554 |
|
2010 |
Wang XB, Fu Q, Yang J. Electron affinities and electronic structures of o-, m-, and p-hydroxyphenoxyl radicals: a combined low-temperature photoelectron spectroscopic and Ab initio calculation study. The Journal of Physical Chemistry. A. 114: 9083-9. PMID 20669925 DOI: 10.1021/Jp103752T |
0.322 |
|
2010 |
Fu Q, Yang J, Luo Y. First-principles calculations of adsorption and dehydrogenation of trans-2-butene molecule on Pd(110) surface. The Journal of Chemical Physics. 131: 154703. PMID 20568876 DOI: 10.1063/1.3234419 |
0.406 |
|
2010 |
Liang H, Li Z, Yang J. Single-stranded DNA adsorption on chiral molecule coated Au surface: a molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. 12: 4431-4. PMID 20407716 DOI: 10.1039/B923012B |
0.301 |
|
2010 |
Li Z, Li B, Yang J, Hou JG. Single-Molecule Chemistry of Metal Phthalocyanine on Noble Metal Surfaces Accounts of Chemical Research. 43: 954-962. PMID 20359193 DOI: 10.1021/Ar9001558 |
0.359 |
|
2010 |
Pan S, Zhao A, Wang B, Yang J, Hou J. Controlling electronic States and transport properties at the level of single molecules. Advanced Materials (Deerfield Beach, Fla.). 22: 1967-71. PMID 20301130 DOI: 10.1002/Adma.200903795 |
0.349 |
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2010 |
Shang H, Li Z, Yang J. Implementation of exact exchange with numerical atomic orbitals. The Journal of Physical Chemistry. A. 114: 1039-43. PMID 20070129 DOI: 10.1021/Jp908836Z |
0.319 |
|
2010 |
Zhang W, Carravetta V, Li Z, Luo Y, Yang J. Oxidation states of graphene: insights from computational spectroscopy. The Journal of Chemical Physics. 131: 244505. PMID 20059077 DOI: 10.1063/1.3276339 |
0.426 |
|
2010 |
MINATO T, SAINOO Y, KIM Y, KATO HS, AIKA K, KAWAI M, ZHAO J, PETEK H, HUANG T, HE W, WANG B, WANG Z, ZHAO Y, YANG J, HOU J. The Electronic State and Spatial Distribution of Excess Charge Created by Oxygen Vacancies on Titanium Dioxide Surfaces Hyomen Kagaku. 31: 474-479. DOI: 10.1380/Jsssj.31.474 |
0.332 |
|
2010 |
Hu S, Zhao A, Kan E, Cui X, Zhang X, Ming F, Fu Q, Xiang H, Yang J, Xiao X. Electrical rectification by selective wave-function coupling in small Ag clusters onSi(111)−(7×7) Physical Review B. 81. DOI: 10.1103/Physrevb.81.115458 |
0.305 |
|
2010 |
Zhang H, Dai J, Zhang Y, Qu D, Ji H, Wu G, Wang XF, Chen XH, Wang B, Zeng C, Yang J, Hou JG. 2×2structure and charge inhomogeneity at the surface of superconductingBaFe2−xCoxAs2(x=0–0.32) Physical Review B. 81. DOI: 10.1103/Physrevb.81.104520 |
0.308 |
|
2010 |
Shang H, Xiang H, Li Z, Yang J. Linear scaling electronic structure calculations with numerical atomic basis set International Reviews in Physical Chemistry. 29: 665-691. DOI: 10.1080/0144235X.2010.520454 |
0.316 |
|
2010 |
Jiang J, Sun L, Gao B, Wu Z, Lu W, Yang J, Luo Y. Structure dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters Journal of Applied Physics. 108: 094303. DOI: 10.1063/1.3503365 |
0.405 |
|
2010 |
Kan E, Xiang H, Wu F, Lee C, Yang J, Whangbo M. Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms Applied Physics Letters. 96: 102503. DOI: 10.1063/1.3327884 |
0.316 |
|
2010 |
Zhou C, Ren Z, Tan S, Ma Z, Mao X, Dai D, Fan H, Yang X, Larue J, Cooper R, Wodtke AM, Wang Z, Li Z, Wang B, Yang J, et al. Site-specific photocatalytic splitting of methanol on TiO2(110) Chemical Science. 1: 575-580. DOI: 10.1039/C0Sc00316F |
0.306 |
|
2010 |
Wang Z, Zhao Y, Cui X, Tan S, Zhao A, Wang B, Yang J, Hou JG. Adsorption of CO on Rutile TiO2(110)-1 × 1 Surface with Preadsorbed O Adatoms The Journal of Physical Chemistry C. 114: 18222-18227. DOI: 10.1021/Jp1059165 |
0.317 |
|
2010 |
Zhou J, Li H, Zhang L, Cheng J, Zhao H, Chu W, Yang J, Luo Y, Wu Z. Tuning Magnetism in Transition-Metal-Doped 3C Silicon Carbide Polytype The Journal of Physical Chemistry C. 115: 253-256. DOI: 10.1021/Jp105121Y |
0.422 |
|
2010 |
Li H, Dai J, Li J, Zhang S, Zhou J, Zhang L, Chu W, Chen D, Zhao H, Yang J, Wu Z. Electronic Structures and Magnetic Properties of GaN Sheets and Nanoribbons The Journal of Physical Chemistry C. 114: 11390-11394. DOI: 10.1021/Jp1024558 |
0.345 |
|
2010 |
Li X, Ren H, Wang L, Cheng K, Yang J, Luo Y. Important Structural Factors Controlling the Conductance of DNA Pairs in Molecular Junctions The Journal of Physical Chemistry C. 114: 14240-14242. DOI: 10.1021/Jp100798G |
0.534 |
|
2010 |
Wu C, Zhu H, Dai J, Yan W, Yang J, Tian Y, Wei S, Xie Y. Room-Temperature Ferromagnetic Silver Vanadium Oxide (Ag1.2V3O8): A Magnetic Semiconductor Nanoring Structure Advanced Functional Materials. 20: 3666-3672. DOI: 10.1002/Adfm.201001179 |
0.302 |
|
2009 |
Xiang H, Kan E, Wei SH, Whangbo MH, Yang J. "Narrow" graphene nanoribbons made easier by partial hydrogenation. Nano Letters. 9: 4025-30. PMID 19995081 DOI: 10.1021/Nl902198U |
0.318 |
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2009 |
Pan S, Fu Q, Huang T, Zhao A, Wang B, Luo Y, Yang J, Hou J. Design and control of electron transport properties of single molecules. Proceedings of the National Academy of Sciences of the United States of America. 106: 15259-63. PMID 19706435 DOI: 10.1073/Pnas.0903131106 |
0.437 |
|
2009 |
Zhao Y, Wang Z, Cui X, Huang T, Wang B, Luo Y, Yang J, Hou J. What are the adsorption sites for CO on the reduced TiO2(110)-1 x 1 surface? Journal of the American Chemical Society. 131: 7958-9. PMID 19456126 DOI: 10.1021/Ja902259K |
0.412 |
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2009 |
Huang J, Li Q, Li Z, Yang J. Rectifying effect in polar conjugated molecular junctions: a first-principles study. Journal of Nanoscience and Nanotechnology. 9: 774-8. PMID 19441390 DOI: 10.1166/Jnn.2009.C022 |
0.332 |
|
2009 |
Li Z, Zhang W, Luo Y, Yang J, Hou JG. How graphene is cut upon oxidation? Journal of the American Chemical Society. 131: 6320-1. PMID 19374352 DOI: 10.1021/Ja8094729 |
0.399 |
|
2009 |
Li HB, Tian SX, Yang J. Theoretical study of the stepwise protonation of the dioxo manganese(V) porphyrin. The Journal of Physical Chemistry. B. 112: 15807-12. PMID 19367950 DOI: 10.1021/Jp808443N |
0.334 |
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2009 |
Ren H, Yang J, Luo Y. Simulation of inelastic electronic tunneling spectra of adsorbates from first principles. The Journal of Chemical Physics. 130: 134707. PMID 19355764 DOI: 10.1063/1.3106235 |
0.571 |
|
2009 |
Zhao J, Feng M, Yang J, Petek H. The superatom states of fullerenes and their hybridization into the nearly free electron bands of fullerites. Acs Nano. 3: 853-64. PMID 19351148 DOI: 10.1021/Nn800834K |
0.399 |
|
2009 |
Zhang J, Li B, Cui X, Wang B, Yang J, Hou JG. Spontaneous chiral resolution in supramolecular assembly of 2,4,6-tris(2-pyridyl)-1,3,5-triazine on Au(111). Journal of the American Chemical Society. 131: 5885-5890. PMID 19338337 DOI: 10.1021/Ja9001986 |
0.312 |
|
2009 |
Minato T, Sainoo Y, Kim Y, Kato HS, Aika K, Kawai M, Zhao J, Petek H, Huang T, He W, Wang B, Wang Z, Zhao Y, Yang J, Hou JG. The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface. The Journal of Chemical Physics. 130: 124502. PMID 19334846 DOI: 10.1063/1.3082408 |
0.368 |
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2009 |
Zhu W, Shi Q, Wang X, Chen J, Yang J, Hou J. Shape of disorder-broadened Landau subbands in graphene Physical Review Letters. 102: 56803-56803. PMID 19257535 DOI: 10.1103/Physrevlett.102.056803 |
0.303 |
|
2009 |
Zhang W, Gao B, Yang J, Wu Z, Carravetta V, Luo Y. Electronic structure of [121]tetramantane-6-thiol on gold and silver surfaces. The Journal of Chemical Physics. 130: 054705. PMID 19206987 DOI: 10.1063/1.3072334 |
0.469 |
|
2009 |
Du W, Wang B, Xu L, Hu Z, Cui X, Pan BC, Yang J, Hou JG. Identifying atomic geometry and electronic structure of (2 x 3)-Sr/Si(100) surface and its initial oxidation. The Journal of Chemical Physics. 129: 164707. PMID 19045298 DOI: 10.1063/1.3001580 |
0.358 |
|
2009 |
Zhang W, Li Z, Luo Y, Yang J. A first-principles study of NO adsorption and oxidation on Au(111) surface. The Journal of Chemical Physics. 129: 134708. PMID 19045117 DOI: 10.1063/1.2985668 |
0.408 |
|
2009 |
Zhao J, Yang J, Petek H. Theoretical study of the molecular and electronic structure of methanol on a TiO2 (110 ) surface Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.235416 |
0.383 |
|
2009 |
Liu W, Wang ZF, Shi QW, Yang J, Liu F. Band-gap scaling of graphene nanohole superlattices Physical Review B. 80. DOI: 10.1103/Physrevb.80.233405 |
0.323 |
|
2009 |
Dai J, Li Z, Yang J. First Principles Study on FeAs Single Layers Chinese Journal of Chemical Physics. 22: 139-142. DOI: 10.1088/1674-0068/22/02/139-142 |
0.302 |
|
2009 |
Fu Q, Yang J, Luo Y. Mechanism for tautomerization induced conductance switching of naphthalocyanin molecule Applied Physics Letters. 95: 182103. DOI: 10.1063/1.3224186 |
0.399 |
|
2009 |
Xu K, Huang J, Lei S, Su H, Boey FYC, Li Q, Yang J. Efficient organometallic spin filter based on Europium-cyclooctatetraene wire The Journal of Chemical Physics. 131: 104704. DOI: 10.1063/1.3224175 |
0.327 |
|
2009 |
Wu F, Kan E, Xiang H, Wei S, Whangbo M, Yang J. Magnetic states of zigzag graphene nanoribbons from first principles Applied Physics Letters. 94: 223105. DOI: 10.1063/1.3147854 |
0.314 |
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2009 |
Ren H, Li Q, Luo Y, Yang J. Graphene nanoribbon as a negative differential resistance device Applied Physics Letters. 94: 173110. DOI: 10.1063/1.3126451 |
0.555 |
|
2009 |
Feng XY, Li Z, Yang J. Electron Transport in Butane Molecular Wires with Different Anchoring Groups Containing N, S, and P: A First Principles Study The Journal of Physical Chemistry C. 113: 21911-21914. DOI: 10.1021/Jp908347S |
0.3 |
|
2009 |
Lu N, Li Z, Yang J. Electronic Structure Engineering via On-Plane Chemical Functionalization: A Comparison Study on Two-Dimensional Polysilane and Graphane The Journal of Physical Chemistry C. 113: 16741-16746. DOI: 10.1021/Jp904208G |
0.374 |
|
2009 |
Zhang W, Li Z, Luo Y, Yang J. First Principles Study on the Geometric and Electronic Structures of the FeO/Pt(111) Surface The Journal of Physical Chemistry C. 113: 8302-8305. DOI: 10.1021/Jp810751J |
0.436 |
|
2009 |
Huang J, Li Q, Su H, Yang J. Transport properties through diarylethene derivatives between carbon nanotube electrodes: A theoretical study Chemical Physics Letters. 479: 120-124. DOI: 10.1016/J.Cplett.2009.08.006 |
0.329 |
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2009 |
Fu Q, Yuan L, Luo Y, Yang J. Exploring at nanoscale from first principles Frontiers of Physics in China. 4: 256-268. DOI: 10.1007/S11467-009-0057-Z |
0.435 |
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2009 |
Shi Q, Wang Z, Li Q, Yang J. Chiral selective tunneling induced graphene nanoribbon switch Frontiers of Physics in China. 4: 373-377. DOI: 10.1007/S11467-009-0027-5 |
0.312 |
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2009 |
Zhang W, Li Z, Luo Y, Yang J. Density functional study on mechanism of CO oxidation with activated water on O/Au (111) surface Science Bulletin. 54: 1973-1977. DOI: 10.1007/S11434-009-0057-Y |
0.394 |
|
2008 |
Sun L, Li Y, Li Z, Li Q, Zhou Z, Chen Z, Yang J, Hou JG. Electronic structures of SiC nanoribbons. The Journal of Chemical Physics. 129: 174114. PMID 19045340 DOI: 10.1063/1.3006431 |
0.343 |
|
2008 |
Kan E, Wu X, Li Z, Zeng XC, Yang J, Hou JG. Half-metallicity in hybrid BCN nanoribbons Journal of Chemical Physics. 129: 84712-84712. PMID 19044846 DOI: 10.1063/1.2971187 |
0.347 |
|
2008 |
Sun L, Li Q, Ren H, Su H, Shi QW, Yang J. Strain effect on electronic structures of graphene nanoribbons: A first-principles study. The Journal of Chemical Physics. 129: 074704. PMID 19044789 DOI: 10.1063/1.2958285 |
0.488 |
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2008 |
Chen Q, Chen T, Pan G, Yan H, Song W, Wan L, Li Z, Wang Z, Shang B, Yuan L, Yang J. Structural selection of graphene supramolecular assembly oriented by molecular conformation and alkyl chain Proceedings of the National Academy of Sciences of the United States of America. 105: 16849-16854. PMID 18974221 DOI: 10.1073/Pnas.0809427105 |
0.354 |
|
2008 |
Zhang W, Yang J, Luo Y, Monti S, Carravetta V. Quantum molecular dynamics study of water on TiO2(110) surface. The Journal of Chemical Physics. 129: 064703. PMID 18715098 DOI: 10.1063/1.2955452 |
0.399 |
|
2008 |
He W, Li Z, Yang J, Hou JG. Electronic structures of organic molecule encapsulated BN nanotubes under transverse electric field. The Journal of Chemical Physics. 129: 024710. PMID 18624555 DOI: 10.1063/1.2946708 |
0.319 |
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2008 |
Zhao A, Hu Z, Wang B, Xiao X, Yang J, Hou JG. Kondo effect in single cobalt phthalocyanine molecules adsorbed on Au(111) monoatomic steps. The Journal of Chemical Physics. 128: 234705. PMID 18570517 DOI: 10.1063/1.2940338 |
0.32 |
|
2008 |
He W, Li Z, Yang J, Hou JG. A first principles study on organic molecule encapsulated boron nitride nanotubes. The Journal of Chemical Physics. 128: 164701. PMID 18447473 DOI: 10.1063/1.2901026 |
0.357 |
|
2008 |
Kan EJ, Li Z, Yang J, Hou JG. Half-metallicity in edge-modified zigzag graphene nanoribbons. Journal of the American Chemical Society. 130: 4224-5. PMID 18331034 DOI: 10.1021/Ja710407T |
0.331 |
|
2008 |
Yuan Y, Deng K, Liu Y, Tang C, Tan W, Huang D, Yang J, Wang X. A theoretical study of the TiC5 cluster. The Journal of Chemical Physics. 128: 064314. PMID 18282045 DOI: 10.1063/1.2828550 |
0.341 |
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2008 |
Hu S, Kan EJ, Yang J. First-principles study of interaction between H2 molecules and BN nanotubes with BN divacancies. The Journal of Chemical Physics. 127: 164718. PMID 17979382 DOI: 10.1063/1.2786988 |
0.328 |
|
2008 |
Kan EJ, Xiang HJ, Yang J, Hou JG. Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: a first-principles study. The Journal of Chemical Physics. 127: 164706. PMID 17979370 DOI: 10.1063/1.2789424 |
0.375 |
|
2008 |
Kan E, Li Z, Yang J. Magnetism in graphene systems Nano. 3: 433-442. DOI: 10.1142/S1793292008001350 |
0.321 |
|
2008 |
Wang ZF, Li Q, Shi QW, Wang X, Yang J, Hou JG, Chen J. Chiral selective tunneling induced negative differential resistance in zigzag graphene nanoribbon: A theoretical study Applied Physics Letters. 92: 133114. DOI: 10.1063/1.2904701 |
0.305 |
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2008 |
Hu Z, Chen L, Zhao A, Li Z, Wang B, Yang J, Hou JG. Detecting a Molecule-Surface Hybrid State by an Fe-Coated Tip with a Non-s-Like Orbital Journal of Physical Chemistry C. 112: 15603-15606. DOI: 10.1021/Jp8065508 |
0.306 |
|
2008 |
Hu Z, Li B, Zhao A, Yang J, Hou JG. Electronic and Magnetic Properties of Metal Phthalocyanines on Au(111) Surface: A First-Principles Study The Journal of Physical Chemistry C. 112: 13650-13655. DOI: 10.1021/Jp8043048 |
0.368 |
|
2008 |
Wang FH, Liu SY, Shang JX, Zhou YS, Li Z, Yang J. Oxygen adsorption on Zr(0 0 0 1) surfaces: Density functional calculations and a multiple-layer adsorption model Surface Science. 602: 2212-2216. DOI: 10.1016/J.Susc.2008.04.033 |
0.306 |
|
2008 |
Li Z, Huang J, Li Q, Yang J. Protonation effects on electron transport through diblock molecular junctions: A theoretical study Science in China Series B: Chemistry. 51: 1159-1165. DOI: 10.1007/S11426-008-0134-0 |
0.347 |
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2007 |
Chen L, Hu Z, Zhao A, Wang B, Luo Y, Yang J, Hou JG. Mechanism for negative differential resistance in molecular electronic devices: local orbital symmetry matching. Physical Review Letters. 99: 146803. PMID 17930698 DOI: 10.1103/Physrevlett.99.146803 |
0.448 |
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2007 |
Huang J, Li Q, Ren H, Su H, Shi QW, Yang J. Switching mechanism of photochromic diarylethene derivatives molecular junctions. The Journal of Chemical Physics. 127: 094705. PMID 17824757 DOI: 10.1063/1.2770733 |
0.527 |
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2007 |
Xiang HJ, Yang J, Hou JG, Zhu Q. Linear scaling calculation of band edge states and doped semiconductors. The Journal of Chemical Physics. 126: 244707. PMID 17614577 DOI: 10.1063/1.2746322 |
0.347 |
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2007 |
Huang T, Hu Z, Zhao A, Wang H, Wang B, Yang J, Hou JG. Quasi chiral phase separation in a two-dimensional orientationally disordered system: 6-nitrospiropyran on Au(111). Journal of the American Chemical Society. 129: 3857-62. PMID 17346042 DOI: 10.1021/Ja066521P |
0.306 |
|
2007 |
Wang B, Zhou Y, Ding X, Wang K, Wang X, Yang J, Hou JG. Conduction mechanism of Aviram-Ratner rectifiers with single pyridine-sigma-C(60) oligomers. The Journal of Physical Chemistry. B. 110: 24505-12. PMID 17134209 DOI: 10.1021/Jp065069T |
0.343 |
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2007 |
Xiang HJ, Li Z, Liang WZ, Yang J, Hou JG, Zhu Q. Linear scaling calculation of maximally localized Wannier functions with atomic basis set. The Journal of Chemical Physics. 124: 234108. PMID 16821908 DOI: 10.1063/1.2207622 |
0.315 |
|
2007 |
Li B, Zeng C, Zhao J, Yang J, Hou JG, Zhu Q. Single-electron tunneling spectroscopy of single C60 in double-barrier tunnel junction. The Journal of Chemical Physics. 124: 64709. PMID 16483231 DOI: 10.1063/1.2163333 |
0.319 |
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2007 |
Xiang HJ, Liang WZ, Yang J, Hou JG, Zhu Q. Spin-unrestricted linear-scaling electronic structure theory and its application to magnetic carbon-doped boron nitride nanotubes. The Journal of Chemical Physics. 123: 124105. PMID 16392473 DOI: 10.1063/1.2034448 |
0.314 |
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2007 |
Wu X, Li Q, Huang J, Yang J. Nonequilibrium electronic transport of 4,4'-bipyridine molecular junction. The Journal of Chemical Physics. 123: 184712. PMID 16292926 DOI: 10.1063/1.2102902 |
0.373 |
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2007 |
Ding X, Li Z, Yang J, Hou JG, Zhu Q. Adsorption energies of molecular oxygen on Au clusters. The Journal of Chemical Physics. 120: 9594-600. PMID 15267971 DOI: 10.1063/1.1665323 |
0.32 |
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2007 |
Chen Z, Yang J. Atomic and Molecular Chemisorption of Oxygen in WO4 Clusters Chinese Journal of Chemical Physics. 20: 78-82. DOI: 10.1360/Cjcp2007.20(1).78.5 |
0.365 |
|
2007 |
Tang C, Deng K, Tan W, Yuan Y, Liu Y, Yang J, Wang X. Frontier orbitals analysis and density-functional energetics for metal-substituted fullerene C58Fe2 The European Physical Journal D. 43: 125-128. DOI: 10.1140/Epjd/E2007-00054-4 |
0.342 |
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2007 |
Zhang X, He W, Zhao A, Li H, Chen L, Pai WW, Hou J, Loy MMT, Yang J, Xiao X. Geometric and electronic structure of aC60monolayer on Ag(100) Physical Review B. 75. DOI: 10.1103/Physrevb.75.235444 |
0.34 |
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2007 |
Wang ZF, Li Q, Su H, Wang X, Shi QW, Chen J, Yang J, Hou JG. Electronic structure of bilayer graphene: A real-space Green’s function study Physical Review B. 75. DOI: 10.1103/Physrevb.75.085424 |
0.332 |
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2007 |
Chen L, Pan BC, Xiang H, Wang B, Yang J, Hou JG, Zhu Q. Observation of local electronic structures of adatom vacancies inSi(111)−(7×7)surface in real space Physical Review B. 75. DOI: 10.1103/Physrevb.75.085329 |
0.355 |
|
2007 |
Ren H, Li Q, Shi Q, Yang J. Quantum Dot Based on Z-shaped Graphene Nanoribbon: First-principles Study Chinese Journal of Chemical Physics. 20: 489-494. DOI: 10.1088/1674-0068/20/04/489-494 |
0.489 |
|
2007 |
Wu C, Hu Z, Wang C, Sheng H, Yang J, Xie Y. Hexagonal Cu2SnS3 with metallic character: Another category of conducting sulfides Applied Physics Letters. 91: 143104. DOI: 10.1063/1.2790491 |
0.308 |
|
2007 |
Kan E, Yuan L, Yang J. Electron-induced ferromagnetic ordering of Co-doped ZnO Journal of Applied Physics. 102: 033915. DOI: 10.1063/1.2763948 |
0.368 |
|
2007 |
Zhao Y, Zhu X, Huang Y, Wang S, Yang J, Xie Y. Synthesis, Growth Mechanism, and Work Function at Highly Oriented {001} Surfaces of Bismuth Sulfide Microbelts The Journal of Physical Chemistry C. 111: 12145-12148. DOI: 10.1021/Jp073081V |
0.304 |
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2007 |
Monti S, Carravetta V, Zhang W, Yang J. Effects Due to Interadsorbate Interactions on the Dipeptide/TiO2Surface Binding Mechanism Investigated by Molecular Dynamics Simulations The Journal of Physical Chemistry C. 111: 7765-7771. DOI: 10.1021/Jp071095V |
0.33 |
|
2006 |
Huang J, Li Q, Ren H, Su H, Yang J. Single quintuple bond [PhCrCrPh] molecule as a possible molecular switch. The Journal of Chemical Physics. 125: 184713. PMID 17115785 DOI: 10.1063/1.2370906 |
0.51 |
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2006 |
Liang W, Zhao Y, Sun J, Song J, Hu S, Yang J. Electronic excitation of polyfluorenes: a theoretical study. The Journal of Physical Chemistry. B. 110: 9908-15. PMID 16706446 DOI: 10.1021/Jp0572481 |
0.322 |
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2006 |
Chen MD, Li XB, Yang J, Zhang QE, Au CT. A density functional study on beryllium-doped carbon dianion clusters CnBe2- (n = 4-14). The Journal of Physical Chemistry. A. 110: 4502-8. PMID 16571056 DOI: 10.1021/Jp054830G |
0.312 |
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2006 |
Li B, Zhao J, Onda K, Jordan KD, Yang J, Petek H. Ultrafast interfacial proton-coupled electron transfer. Science (New York, N.Y.). 311: 1436-40. PMID 16527974 DOI: 10.1126/Science.1122190 |
0.323 |
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2006 |
Wu X, Yang J, Hou JG, Zhu Q. Defects-enhanced dissociation of H2 on boron nitride nanotubes. The Journal of Chemical Physics. 124: 054706. PMID 16468900 DOI: 10.1063/1.2162897 |
0.333 |
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2006 |
Lu G, Deng K, Wu H, Yang J, Wang X. Geometric and electronic structures of metal-substitutional fullerene C59Sm and metal-exohedral fullerenes C60Sm. The Journal of Chemical Physics. 124: 054305. PMID 16468867 DOI: 10.1063/1.2162895 |
0.384 |
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2006 |
Wu X, Yang J, Hou JG, Zhu Q. Hydrogen adsorption on zigzag (8,0) boron nitride nanotubes. The Journal of Chemical Physics. 121: 8481-5. PMID 15511171 DOI: 10.1063/1.1799958 |
0.317 |
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2006 |
Chen Z, Yang J. Theoretical Study on Geometrical and Electronic Properties of Anionic and Neutral V2O6 Clusters Chinese Journal of Chemical Physics. 19: 391-394. DOI: 10.1360/Cjcp2006.19(5).391.4 |
0.331 |
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2006 |
Liang W, Sun J, Yang J. Electronic Structures and Optical Properties of Fullerene and Organic Molecule Nanotube Peapods Journal of Computational and Theoretical Nanoscience. 3: 843-851. DOI: 10.1166/Jctn.2006.026 |
0.311 |
|
2006 |
Xiang HJ, Chen ZY, Yang J. Electronic and piezoelectric properties of BN nanotubes from hybrid density functional method Journal of Computational and Theoretical Nanoscience. 3: 838-842. DOI: 10.1166/Jctn.2006.025 |
0.314 |
|
2006 |
Chen Z, Xiang H, Li Z, Yang J. CHARGE AND SPIN ORDERING IN Na0.5CoO2 FROM THE HYBRID DENSITY FUNCTIONAL STUDY Journal of Theoretical and Computational Chemistry. 5: 515-522. DOI: 10.1142/S021963360600243X |
0.333 |
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2006 |
HUANG J, LI Q, WU X, MIAO Y, YANG J. TRANSPORT PROPERTY OF TWO ISOELECTRONIC MOLECULES International Journal of Nanoscience. 5: 841-846. DOI: 10.1142/S0219581X06005248 |
0.34 |
|
2006 |
Yuan Y, Deng K, Liu Y, Tang C, Lu G, Yang J, Wang X. A theoretical study on the excited states of MC3 (M = Sc, V, and Cr) The European Physical Journal D. 40: 243-246. DOI: 10.1140/Epjd/E2006-00163-6 |
0.338 |
|
2006 |
Du X, Li Q, Su H, Yang J. Electronic and magnetic properties of V-doped anataseTiO2from first principles Physical Review B. 74. DOI: 10.1103/Physrevb.74.233201 |
0.327 |
|
2006 |
Chen ZY, Xiang HJ, Yang J, Hou JG, Zhu Q. Structural and electronic properties ofOsB2: A hard metallic material Physical Review B. 74. DOI: 10.1103/Physrevb.74.012102 |
0.308 |
|
2006 |
Zhao J, Li B, Jordan KD, Yang J, Petek H. Interplay between hydrogen bonding and electron solvation on hydrated Ti O2 (110) Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.195309 |
0.375 |
|
2006 |
Wu H, Deng K, Lu G, Yuan Y, Yang J, Wang X. Geometric and electronic properties of Sc2C2@C84 Journal of Physics: Condensed Matter. 18: 7115-7122. DOI: 10.1088/0953-8984/18/31/006 |
0.311 |
|
2006 |
Song J, Liang WZ, Zhao Y, Yang J. Conformational flexibility and its effect on the vibrationally resolved absorption and fluorescence spectra of oligofluorenes Applied Physics Letters. 89: 071917. DOI: 10.1063/1.2337530 |
0.33 |
|
2006 |
Lu G, Yuan Y, Deng K, Wu H, Yang J, Wang X. Density-functional energetics and frontier orbitals analysis for the derivatives of the nonclassical four-membered ring fullerene C62 Chemical Physics Letters. 424: 142-145. DOI: 10.1016/J.Cplett.2006.04.063 |
0.326 |
|
2005 |
Zhao A, Li Q, Chen L, Xiang H, Wang W, Pan S, Wang B, Xiao X, Yang J, Hou JG, Zhu Q. Controlling the Kondo effect of an adsorbed magnetic ion through its chemical bonding. Science (New York, N.Y.). 309: 1542-4. PMID 16141069 DOI: 10.1126/Science.1113449 |
0.354 |
|
2005 |
Zhao J, Zeng C, Cheng X, Wang K, Wang G, Yang J, Hou JG, Zhu Q. Single C59N molecule as a molecular rectifier. Physical Review Letters. 95: 045502. PMID 16090819 DOI: 10.1103/Physrevlett.95.045502 |
0.312 |
|
2005 |
Onda K, Li B, Zhao J, Jordan KD, Yang J, Petek H. Wet electrons at the H2O/TiO2(110) surface. Science (New York, N.Y.). 308: 1154-8. PMID 15905397 DOI: 10.1126/Science.1109366 |
0.352 |
|
2005 |
ZHANG X, DING X, YANG J. DENSITY FUNCTIONAL THEORY STUDY OF W5 CLUSTERS International Journal of Modern Physics B. 19: 2427-2432. DOI: 10.1142/S0217979205031092 |
0.341 |
|
2005 |
Li Z, Yang J, Hou JG, Zhu Q. Geometrical, electronic, and magnetic properties ofNa0.5CoO2from first principles Physical Review B. 71. DOI: 10.1103/Physrevb.71.024502 |
0.338 |
|
2005 |
Yang Y, Wang FH, Zhou YS, Yuan L, Yang J. Density functional calculations of the polarizability and second-order hyperpolarizability of C 50Cl 10 Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/Physreva.71.013202 |
0.326 |
|
2005 |
Xiang HJ, Yang J, Hou JG, Zhu Q. Half-metallic ferromagnetism in transition-metal encapsulated boron nitride nanotubes New Journal of Physics. 7: 39-39. DOI: 10.1088/1367-2630/7/1/039 |
0.301 |
|
2005 |
Xiang HJ, Yang J, Hou JG, Zhu Q. Are fluorinated boron nitride nanotubes n-type semiconductors? Applied Physics Letters. 87: 243113. DOI: 10.1063/1.2142290 |
0.303 |
|
2005 |
Liang W, Yang J, Sun J. Controllable p and n doping of single-walled carbon nanotubes by encapsulation of organic molecules and fullerene: A theoretical investigation Applied Physics Letters. 86: 223113. DOI: 10.1063/1.1941476 |
0.35 |
|
2005 |
Li Q, Wu X, Huang J, Yang J. Electronic transport property of 4,4′-bipyridine molecular junction Ultramicroscopy. 105: 293-298. DOI: 10.1016/J.Ultramic.2005.06.052 |
0.346 |
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2005 |
Zhang X, Ding X, Dai B, Yang J. Density functional theory study of Wn (n=2–4) clusters Journal of Molecular Structure: Theochem. 757: 113-118. DOI: 10.1016/J.Theochem.2005.09.021 |
0.336 |
|
2005 |
Sun J, Liang W, Yang J, Gao J. A comparative investigation on electronic structures and optical properties of C60 polymers, periodic fulleriods and carbon nanotubes Journal of Molecular Structure-Theochem. 755: 105-111. DOI: 10.1016/J.Theochem.2005.07.030 |
0.319 |
|
2004 |
Lai W, Xie D, Yang J, Zhang DH. A first-principles potential energy surface and vibrational states for hydrogen on Cu(100). The Journal of Chemical Physics. 121: 7434-9. PMID 15473816 DOI: 10.1063/1.1796236 |
0.326 |
|
2004 |
Dai B, Tian L, Yang J. A theoretical study of small copper oxide clusters: Cu2Ox (x = 1 - 4). The Journal of Chemical Physics. 120: 2746-51. PMID 15268419 DOI: 10.1063/1.1638733 |
0.321 |
|
2004 |
Zhang J, Shi QW, Yang J. Electronic transport in Z-junction carbon nanotubes. The Journal of Chemical Physics. 120: 7733-7. PMID 15267685 DOI: 10.1063/1.1689638 |
0.324 |
|
2004 |
Li B, Wang H, Yang J, Hou JG. High-resolution scanning tunneling microscopy for molecules. Ultramicroscopy. 98: 317-334. PMID 15046812 DOI: 10.1016/J.Ultramic.2003.08.024 |
0.326 |
|
2004 |
Gu G, Dai B, Ding X, Yang J. A theoretical study of the Y $\mathsf{_{3}}$ O clusters The European Physical Journal D - Atomic, Molecular and Optical Physics. 29: 27-31. DOI: 10.1140/Epjd/E2004-00003-9 |
0.361 |
|
2004 |
Chen L, Xiang HJ, Li B, Zhao A, Xiao X, Yang J, Hou JG, Zhu Q. Detecting surface resonance states ofSi(111)−3×3−Agwith a scanning tunneling microscope Physical Review B. 70. DOI: 10.1103/Physrevb.70.245431 |
0.305 |
|
2004 |
Xiang HJ, Li Z, Yang J, Hou JG, Zhu Q. Electron-phonon coupling in a boron-doped diamond superconductor Physical Review B. 70. DOI: 10.1103/Physrevb.70.212504 |
0.349 |
|
2004 |
Wu X, Yang J, Hou JG, Zhu Q. Deformation-induced site selectivity for hydrogen adsorption on boron nitride nanotubes Physical Review B. 69. DOI: 10.1103/Physrevb.69.153411 |
0.316 |
|
2003 |
Wang K, Zhao J, Yang S, Chen L, Li Q, Wang B, Yang S, Yang J, Hou JG, Zhu Q. Unveiling metal-cage hybrid states in a single endohedral metallofullerene. Physical Review Letters. 91: 185504. PMID 14611291 DOI: 10.1103/Physrevlett.91.185504 |
0.375 |
|
2003 |
Li Z, Yang J, Hou JG, Zhu Q. Inorganic electride: theoretical study on structural and electronic properties. Journal of the American Chemical Society. 125: 6050-1. PMID 12785823 DOI: 10.1021/Ja034020N |
0.367 |
|
2003 |
Yuan LF, Yang J, Wang H, Zeng C, Li Q, Wang B, Hou JG, Zhu Q, Chen DM. Low-temperature orientationally ordered structures of two-dimensional C60. Journal of the American Chemical Society. 125: 169-72. PMID 12515519 DOI: 10.1021/Ja025775H |
0.316 |
|
2003 |
Li B, Zeng C, Li Q, Yang J, Hou J, Zhu Q. First-Principles Simulation of Scanning Tunneling Microscopy Images of Individual Molecules in Alkanethiol Self-Assembled Monolayers on Au(111) Proceedings of Spie. 5118: 346-353. DOI: 10.1117/12.498630 |
0.331 |
|
2003 |
Xiang H, Yang J, Hou J, Zhu Q. First-principles study of small-radius single-walled BN nanotubes Physical Review B. 68. DOI: 10.1103/Physrevb.68.035427 |
0.317 |
|
2003 |
Dai B, Deng K, Yang J, Zhu Q. Excited states of the 3d transition metal monoxides The Journal of Chemical Physics. 118: 9608-9613. DOI: 10.1063/1.1570811 |
0.332 |
|
2003 |
Deng K, Yang J, Zhu Q. A theoretical study of the NiO2 species The Journal of Chemical Physics. 118: 6868-6873. DOI: 10.1063/1.1559917 |
0.313 |
|
2003 |
Li B, Zeng C, Li Q, Wang B, Yuan L, Wang H, Yang J, Hou JG, Zhu Q. First-principles simulation of scanning tunneling microscopy images of individual molecules in alkanethiol self-assembled monolayers on Au(111) Journal of Physical Chemistry B. 107: 972-984. DOI: 10.1021/Jp0261861 |
0.331 |
|
2003 |
Dai B, Yang J. Assignment of photoelectron spectra of AuX2 (X=Cl, Br, and I) clusters Chemical Physics Letters. 379: 512-516. DOI: 10.1016/J.Cplett.2003.08.094 |
0.308 |
|
2002 |
Zeng C, Li B, Wang B, Wang H, Wang K, Yang J, Hou JG, Zhu Q. What can a scanning tunneling microscope image do for the insulating alkanethiol molecules on Au(111) substrates Journal of Chemical Physics. 117: 851-856. DOI: 10.1063/1.1483846 |
0.333 |
|
2002 |
Dai B, Deng K, Yang J. A theoretical study of the Y4O cluster Chemical Physics Letters. 364: 188-195. DOI: 10.1016/S0009-2614(02)01330-1 |
0.316 |
|
2002 |
Li Z, Yang J, Hou JG, Zhu Q. Hybrid density-functional study of SF5CF3 Chemical Physics Letters. 359: 321-325. DOI: 10.1016/S0009-2614(02)00715-7 |
0.312 |
|
2001 |
Yuan L, Yang J, Li Q, Zhu Q. First-principles investigation forM(CO)n/Ag(110)(M=Fe,Co, Ni, Cu, Zn, and Ag;n=1,2) systems: Geometries, STM images, and vibrational frequencies Physical Review B. 65. DOI: 10.1103/Physrevb.65.035415 |
0.321 |
|
2000 |
Zeng C, Wang H, Wang B, Yang J, Hou JG. Negative differential-resistance device involving two C60 molecules Applied Physics Letters. 77: 3595-3597. DOI: 10.1063/1.1328773 |
0.318 |
|
2000 |
Deng K, Yang J, Zhu Q. A theoretical study of the CuO3 species The Journal of Chemical Physics. 113: 7867-7873. DOI: 10.1063/1.1316043 |
0.307 |
|
2000 |
Yuan L, Yang J, Deng K, Zhu Q. A First-Principles Study on the Structural and Electronic Properties of C36Molecules The Journal of Physical Chemistry A. 104: 6666-6671. DOI: 10.1021/Jp0009913 |
0.355 |
|
1999 |
Deng K, Yang J, Yuan L, Zhu Q. A theoretical study of the linear OCuO species The Journal of Chemical Physics. 111: 1477-1482. DOI: 10.1063/1.479406 |
0.345 |
|
1999 |
Wang H, Zeng C, Li Q, Wang B, Yang J, Hou JG, Zhu Q. Scanning tunneling spectroscopy of individual C60 molecules adsorbed on Si(111)-7×7 surface Surface Science. 442. DOI: 10.1016/S0039-6028(99)00977-2 |
0.315 |
|
1999 |
Li T, Wang K, Yang J, Chen Q. A New Variational Method for the Coupling System of Polaron in a Quantum Well Physica Status Solidi (B). 212: 271-279. DOI: 10.1002/(Sici)1521-3951(199904)212:2<271::Aid-Pssb271>3.0.Co;2-Z |
0.301 |
|
1996 |
Wang Y, Wang K, Wan S, Yang J. General properties for two-dimensional polarons with non-zero momentum Physics Letters A. 220: 131-136. DOI: 10.1016/0375-9601(96)00480-X |
0.31 |
|
1996 |
Yang J, Deng K, Xiao C, Wang K. Low-spin and high-spin states of Ru13 clusters Physics Letters A. 212: 253-257. DOI: 10.1016/0375-9601(96)00043-6 |
0.305 |
|
1996 |
Yang J, Deng K, Xiao C, Wang K. Magnetism of the Rh13 cluster Physica Status Solidi (B). 195: 549-552. DOI: 10.1002/Pssb.2221950223 |
0.319 |
|
1994 |
Xiao C, Yang J, Deng K, Bian Z, Wang K. Electronic structure and Compton profile of CaH2 Journal of Physics: Condensed Matter. 6: 8539-8547. DOI: 10.1088/0953-8984/6/41/016 |
0.335 |
|
1993 |
Xiao C, Chen W, Yang J, Wang K, Xia S. Crystal-Field Levels, Local Lattice Geometry and Electronic Properties of Titanium-Doped Chrysoberyl Communications in Theoretical Physics. 19: 257-264. DOI: 10.1088/0253-6102/19/3/257 |
0.305 |
|
1992 |
Xiao C, Yang J, Xia S, Wang K. Electronic structure of Ti3+in BeAl2O4 Journal of Physics: Condensed Matter. 4: 5181-5188. DOI: 10.1088/0953-8984/4/22/016 |
0.347 |
|
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