Dong-Kyun Seo - Related publications

Chemistry Arizona State University, Tempe, AZ, United States 
Inorganic Chemistry, Materials Science Engineering
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50 most relevant papers in past 60 days:
Year Citation  Score
2019 Shim JH, Kang H, Kim YM, Lee S. In-Situ Observation of the Effect of Accelerating Voltage on Electron Beam Damage of Layered Cathode Materials for Lithium Ion Batteries. Acs Applied Materials & Interfaces. PMID 31687809 DOI: 10.1021/acsami.9b15608   
2019 Liu Q, Wang Q, Xu M, Liu J, Liang J. DFT characterization and design of anthracene-based molecules for improving spectra and charge transfer. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 117627. PMID 31703990 DOI: 10.1016/j.saa.2019.117627   
2019 Lee S, Lee AT, Georgescu AB, Fabbris G, Han MG, Zhu Y, Freeland JW, Disa AS, Jia Y, Dean MPM, Walker FJ, Ismail-Beigi S, Ahn CH. Strong Orbital Polarization in a Cobaltate-Titanate Oxide Heterostructure. Physical Review Letters. 123: 117201. PMID 31573260 DOI: 10.1103/PhysRevLett.123.117201   
2019 Zhang Z, Fang WH, Long R, Prezhdo OV. Exciton Dissociation and Suppressed Charge Recombination at 2D Perovskite Edges: Key Roles of Unsaturated Halide Bonds and Thermal Disorder. Journal of the American Chemical Society. PMID 31525977 DOI: 10.1021/jacs.9b06046   
2019 Gaufres E, Fossard F, Gosselin V, Sponza L, Ducastelle F, Li Z, Louie SG, Martel R, Côté M, Loiseau A. Momentum-resolved dielectric response of free-standing mono-, bi- and tri- layer black phosphorus. Nano Letters. PMID 31603690 DOI: 10.1021/acs.nanolett.9b03928   
2019 Nguyen DK, Tran NTT, Chiu YH, Lin MF. Concentration-Diversified Magnetic and Electronic Properties of Halogen-Adsorbed Silicene. Scientific Reports. 9: 13746. PMID 31551450 DOI: 10.1038/s41598-019-50233-w   
2019 Tan H, Liu H, Li Y, Duan W, Zhang S. Understanding the origin of bandgap problem in transition and post-transition metal oxides. The Journal of Chemical Physics. 151: 124703. PMID 31575162 DOI: 10.1063/1.5111188   
2019 Smirnov AN, Solomonik VG, Yurchenko SN, Tennyson J. Spectroscopy of YO from first principles. Physical Chemistry Chemical Physics : Pccp. PMID 31598617 DOI: 10.1039/c9cp03208h   
2019 Fujita T, Noguchi Y, Hoshi T. Charge-transfer excited states in the donor/acceptor interface from large-scale GW calculations. The Journal of Chemical Physics. 151: 114109. PMID 31542033 DOI: 10.1063/1.5113944   
2019 Pont FM, Molle A, Berikaa ER, Bubeck S, Bande A. Predicting the performance of the inter-coulombic electron capture from single-electron quantities. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31487701 DOI: 10.1088/1361-648X/ab41a9   
2019 Zhang Y, Shen C, Lu X, Mu X, Song P. Effects of defects in g-CN on excited-state charge distribution and transfer: Potential for improved photocatalysis. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 117687. PMID 31676150 DOI: 10.1016/j.saa.2019.117687   
2019 Nattino F, Dupont C, Marzari N, Andreussi O. Functional extrapolations to tame unbound anions in density-functional theory calculations. Journal of Chemical Theory and Computation. PMID 31580667 DOI: 10.1021/acs.jctc.9b00552   
2019 Ding Q, Qiu R, Ao B. Dependency of f states in fluorite-type XO (X = Ce, Th, U) on the stability and electronic state of doped transition metals. Physical Chemistry Chemical Physics : Pccp. PMID 31559409 DOI: 10.1039/c9cp04371c   
2019 Olano L, Dávila ME, Dennison JR, Martín-Iglesias P, Montero I. Dynamic secondary electron emission in rough composite materials. Scientific Reports. 9: 13967. PMID 31562359 DOI: 10.1038/s41598-019-50353-3   
2019 M B, Sharma P, Brar J, Maurya RK, Bindu R. Interplay of lattice distortion and electronic structure in BaBiO3. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31618709 DOI: 10.1088/1361-648X/ab4e6f   
2019 Huang Z, Wang S, Dewhurst RD, Ignat'ev NV, Finze M, Braunschweig H. Boron: Its role in energy related research and applications. Angewandte Chemie (International Ed. in English). PMID 31625661 DOI: 10.1002/anie.201911108   
2019 Tong WY, Zhao TT, Zhao XF, Wang X, Wu YB, Yuan C. Neutral nano-polygons with ultrashort Be-Be distances. Dalton Transactions (Cambridge, England : 2003). PMID 31560356 DOI: 10.1039/c9dt03322j   
2019 Song C, Li X, Jiang Y, Wang X, Yao J, Meng S, Zhang JX. Real-space Imaging of Orbital Selectivity on SrTiO3 (001) Surface. Acs Applied Materials & Interfaces. PMID 31529959 DOI: 10.1021/acsami.9b11724   
2019 Kriebel M, Hennemann M, Beierlein FR, Medina DD, Bein T, Clark T. Propagation of Holes and Electrons in Metal-Organic Frameworks. Journal of Chemical Information and Modeling. PMID 31722177 DOI: 10.1021/acs.jcim.9b00461   
2019 Munusamy G, Mani R, Varadharajan KK, Narasimhan S. Experimental study of effective mass and spin-orbitals energy of Al2O3/NiO nanoheterostructure material. The Journal of Physical Chemistry. A. PMID 31642681 DOI: 10.1021/acs.jpca.9b07366   
2019 Liu CH, Niazi R, Perepichka DF. Extraordinary Enhancement of π-Electron Donor/Acceptor Ability by DD/AA Complementary Hydrogen Bonding. Angewandte Chemie (International Ed. in English). PMID 31560447 DOI: 10.1002/anie.201910288   
2019 Fantuzzi F, Wolff W, Quitián-Lara HM, Boechat-Roberty HM, Hilgers G, Rudek B, Nascimento MAC. Unexpected reversal of stability in strained systems containing one-electron bonds. Physical Chemistry Chemical Physics : Pccp. PMID 31709438 DOI: 10.1039/c9cp04964a   
2019 Leveillee J, Katan C, Even J, Ghosh D, Nie W, Mohite AD, Tretiak S, Schleife A, Neukirch AJ. Tuning electronic structure in layered hybrid perovskites with organic spacer substitution. Nano Letters. PMID 31675242 DOI: 10.1021/acs.nanolett.9b03427   
2019 Sadhukhan T, Beckett D, Thapa B, Raghavachari K. Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based Method. Journal of Chemical Theory and Computation. PMID 31625737 DOI: 10.1021/acs.jctc.9b00563   
2019 Azam S, Umer M, Saeed U, Khan W, Irfan M, Abbas Z, Kityk IV. DFT modeling of thermoelectric and optical features of novel MgSnSe (x = 6%, 12% & 18%). Journal of Molecular Graphics & Modelling. 94: 107484. PMID 31704656 DOI: 10.1016/j.jmgm.2019.107484   
2019 Min Y, Dou C, Liu D, Dong H, Liu J. Quadruply B←N-Fused Dibenzo-azaacene with High Electron Affinity and High Electron Mobility. Journal of the American Chemical Society. PMID 31577140 DOI: 10.1021/jacs.9b09640   
2019 Thurston B, Shapera E, Tovar JD, Schleife A, Ferguson AL. Revealing the Sequence-Structure-Electronic Property Relation of Self-Assembling π-Conjugated Oligopeptides by Molecular and Quantum Mechanical Modeling. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31657579 DOI: 10.1021/acs.langmuir.9b02593   
2019 Mason JL, Harb H, Topolski JE, Hratchian HP, Jarrold CC. Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules. Accounts of Chemical Research. PMID 31702894 DOI: 10.1021/acs.accounts.9b00474   
2019 Menzel JP, de Groot HJM, Buda F. Photoinduced Electron Transfer in Donor-Acceptor Complexes: Isotope Effect and Dynamic Symmetry Breaking. The Journal of Physical Chemistry Letters. PMID 31593634 DOI: 10.1021/acs.jpclett.9b02408   
2019 Zhang A, Jiang W, Wang Z. Fulvalene Embedded Perylene Diimide and Its Stable Radical Anion. Angewandte Chemie (International Ed. in English). PMID 31644834 DOI: 10.1002/anie.201912536   
2019 Dai W, Liang Y, Yang M, Schrecongost D, Gajurel P, Lee H, Lee JW, Chen J, Eom CB, Cen C. Large and reconfigurable infrared photothermoelectric effect at oxide interfaces. Nano Letters. PMID 31525937 DOI: 10.1021/acs.nanolett.9b02712   
2019 Komarova KG, Remacle F, Levine RD. Time resolved mechanism of the isotope selectivity in the ultrafast light induced dissociation in N. The Journal of Chemical Physics. 151: 114308. PMID 31542039 DOI: 10.1063/1.5118990   
2019 Liu L, Yang CL, Wang MS, Ma XG, Sun ZP. The spectroscopic properties of the low-lying excited states and laser cooling scheme of SrBr molecule. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 117721. PMID 31718980 DOI: 10.1016/j.saa.2019.117721   
2019 Kotadiya NB, Mondal A, Blom PWM, Andrienko D, Wetzelaer GAH. A window to trap-free charge transport in organic semiconducting thin films. Nature Materials. PMID 31548633 DOI: 10.1038/s41563-019-0473-6   
2019 Mackrodt W, Rerat M, Gentile FS, Dovesi R. An all-electron study of the low-lying excited states and optical constants of Al2O3 in the range 5-80 eV. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31593933 DOI: 10.1088/1361-648X/ab4c0e   
2019 Tao Z, Yang Y, Hammes-Schiffer S. Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium. The Journal of Chemical Physics. 151: 124102. PMID 31575164 DOI: 10.1063/1.5119124   
2019 Hu H, Lu D, Dou KP, Shi XQ. Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations. Journal of Visualized Experiments : Jove. PMID 31657790 DOI: 10.3791/60180   
2019 Hu YJ, Zhao G, Zhang B, Yang C, Zhang M, Liu ZK, Qian X, Qi L. Local electronic descriptors for solute-defect interactions in bcc refractory metals. Nature Communications. 10: 4484. PMID 31578329 DOI: 10.1038/s41467-019-12452-7   
2019 Schelter I, Foerster JM, Gardiner AT, Roszak AW, Cogdell RJ, Ullmann GM, de Queiroz TB, Kümmel S. Assessing density functional theory in real-time and real-space as a tool for studying bacteriochlorophylls and the light-harvesting complex 2. The Journal of Chemical Physics. 151: 134114. PMID 31594320 DOI: 10.1063/1.5116779   
2019 Abreha BG, Agarwal S, Foster I, Blaiszik B, Lopez SA. Virtual Excited State Reference for the Discovery of Electronic Materials Database: An Open-Access Resource for Ground and Excited State Properties of Organic Molecules. The Journal of Physical Chemistry Letters. 6835-6841. PMID 31642678 DOI: 10.1021/acs.jpclett.9b02577   
2019 Park SY, Rabe KM, Neaton JB. Superlattice-induced ferroelectricity in charge-ordered LaSrFeO. Proceedings of the National Academy of Sciences of the United States of America. PMID 31712434 DOI: 10.1073/pnas.1906513116   
2019 Liang X, Xue D. Electronegativity principles in metal oxides based supercapacitors. Nanotechnology. PMID 31658454 DOI: 10.1088/1361-6528/ab51c6   
2019 Guo JC, Feng LY, Dong C, Zhai HJ. Ternary 12-electron CBeX (X = H, Li, Na, Cu, Ag) clusters: planar tetracoordinate carbons and superalkali cations. Physical Chemistry Chemical Physics : Pccp. PMID 31565718 DOI: 10.1039/c9cp04437j   
2019 Ariyarathna IR, Pawlowski F, Ortiz JV, Miliordos E. Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH)@12NH, M=Li, Be, B. The Journal of Physical Chemistry. A. PMID 31638812 DOI: 10.1021/acs.jpca.9b07734   
2019 Kumar A, Agrawal S, Rao TR, Sarkar R. Rationalization of photo-detachment spectra of the indenyl anion (CH) from the perspective of vibronic coupling theory. Physical Chemistry Chemical Physics : Pccp. PMID 31577305 DOI: 10.1039/c9cp04594e   
2019 Riera-Galindo S, Orbelli Biroli A, Forni A, Puttisong Y, Tessore F, Pizzotti M, Pavlopoulou E, Solano E, Wang S, Wang G, Ruoko TP, Chen WM, Kemerink M, Berggren M, Di Carlo G, et al. Impact of Singly Occupied Molecular Orbital Energy on the n-Doping Efficiency of Benzimidazole-Derivatives. Acs Applied Materials & Interfaces. PMID 31539222 DOI: 10.1021/acsami.9b12441   
2019 Yang JJ, Liu X, Fang WH, Xiao D, Cui G. Photoinduced Carrier Dynamics at the Interface of Black Phosphorus and Bismuth Vanadate. The Journal of Physical Chemistry. A. PMID 31661964 DOI: 10.1021/acs.jpca.9b08726   
2019 Khatami MM, Gaddemane G, Van de Put ML, Fischetti MV, Moravvej-Farshi MK, Pourfath M, Vandenberghe WG. Electronic Transport Properties of Silicane Determined from First Principles. Materials (Basel, Switzerland). 12. PMID 31514338 DOI: 10.3390/ma12182935   
2019 Li W, Vasenko AS, Tang J, Prezhdo OV. Anharmonicity Extends Carrier Lifetimes in Lead Halide Perovskites at Elevated Temperatures. The Journal of Physical Chemistry Letters. PMID 31556621 DOI: 10.1021/acs.jpclett.9b02553   
2019 Lin R, Guo Q, Zhu Q, Zhu Y, Zheng W, Huang F. All-Inorganic CsCu I Single Crystal with High-PLQY (≈15.7%) Intrinsic White-Light Emission via Strongly Localized 1D Excitonic Recombination. Advanced Materials (Deerfield Beach, Fla.). e1905079. PMID 31583772 DOI: 10.1002/adma.201905079