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Zhiyong Zhang - Publications

Affiliations: 
Stanford University, Palo Alto, CA 
Area:
computational chemistry, photovoltaics, battery, heavy element chemistry, superconductivity, machine learning, high performance computing
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35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Lischka H, Shepard R, Müller T, Szalay PG, Pitzer RM, Aquino AJA, Araújo do Nascimento MM, Barbatti M, Belcher LT, Blaudeau JP, Borges I, Brozell SR, Carter EA, Das A, Gidofalvi G, ... ... Zhang Z, et al. The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. The Journal of Chemical Physics. 152: 134110. PMID 32268762 DOI: 10.1063/1.5144267  0.599
2020 Liang Y, Guan L, Xu X, Han S, Guo J, Wang J, Chen X, Zhang Z, Li X. Effects of the Dopant Site on the Absorption Properties of CsPb1–xMxI2Br (M= Ge, Sn, Sr, and Cu): A First-Principles Investigation Journal of Physical Chemistry C. 124: 6028-6037. DOI: 10.1021/Acs.Jpcc.9B08246  0.306
2020 Zhao Q, Song Q, Zhu H, Zhang Z, Jiang Z, Zhou B. Origin of the structural diversity of the alkaline metal borohydride MBH4 (M = Li, Na, K, Rb and Cs): Insights from first-principles calculations International Journal of Hydrogen Energy. 45: 9946-9958. DOI: 10.1016/J.Ijhydene.2020.02.015  0.326
2020 Huai L, Du W, Zhang Z, Zhang X, Zhang Z, Chen Z, Wu J, Wang D, Li J. The mechanism of V-modification in Li2CoSiO4 cathode material for Li-ion batteries: A combined first-principles and experimental study Electrochimica Acta. 353: 136564. DOI: 10.1016/J.Electacta.2020.136564  0.338
2020 Yan J, Xu P, Chen S, Wang G, Zhang F, Zhao W, Zhang Z, Deng Z, Xu M, Yun J, Zhang Y. Construction of highly ordered ZnO microrod@SnO2 nanowire heterojunction hybrid with a test-tube brush-like structure for high performance lithium-ion batteries: experimental and theoretical study Electrochimica Acta. 330: 135312. DOI: 10.1016/J.Electacta.2019.135312  0.333
2019 Chen S, Liu F, Xu M, Yan J, Zhang F, Zhao W, Zhang Z, Deng Z, Yun J, Chen R, Liu C. First-principles calculations and experimental investigation on SnO@ZnO heterojunction photocatalyst with enhanced photocatalytic performance. Journal of Colloid and Interface Science. 553: 613-621. PMID 31247500 DOI: 10.1016/J.Jcis.2019.06.053  0.346
2019 Zou L, Qu R, Gao H, Guan X, Qi X, Liu C, Zhang Z, Lei X. MoS2/RGO hybrids prepared by a hydrothermal route as a highly efficient catalytic for sonocatalytic degradation of methylene blue Results in Physics. 14: 102458. DOI: 10.1016/J.Rinp.2019.102458  0.323
2019 Jia S, Xu M, Chen S, Yan J, Yun J, Deng Z, Zhang Z, Zhao W, Wang Y, Ma X. A hierarchical sandwich-structured MoS2/SnO2/CC heterostructure for high photocatalysis performance Materials Letters. 236: 697-701. DOI: 10.1016/J.Matlet.2018.11.026  0.325
2019 Song Q, Zhao Q, Jiang Z, Zhang Z, Zhu H. A first-principles simulation of the metal borohydride ammonia borane complex (LiBH4)2(NH3BH3) and the decomposition reaction pathway for hydrogen storage International Journal of Hydrogen Energy. 44: 20121-20132. DOI: 10.1016/J.Ijhydene.2019.05.224  0.3
2019 Chang J, Jiang Z, Zhang Z, Lin Y, Tian P, Zhou B, Chen L. Theoretical studies of photocatalytic behaviors of isoelectronic C/Si/Ge/Sn-doped TiO2: DFT + U Applied Surface Science. 484: 1304-1309. DOI: 10.1016/J.Apsusc.2018.12.252  0.344
2019 Guan L, Tan F, Shen G, Liang Y, Xu X, Guo J, Wang J, Zhang Z, Li X. Comparison of geometry models in the study of perovskite heterostructures Applied Surface Science. 475: 185-190. DOI: 10.1016/J.Apsusc.2018.11.248  0.319
2018 Huang B, Zhang F, Yang Y, Zhang Z. Length-Dependent Electronic Transport Properties of the ZnO Nanorod. Micromachines. 10. PMID 30602715 DOI: 10.3390/Mi10010026  0.309
2017 Zhang Y, Yun J, Wang K, Chen X, Yang Z, Zhang Z, Yan J, Zhao W. First-principle study of graphyne-like BN sheet: Electronic structure and optical properties Computational Materials Science. 136: 12-19. DOI: 10.1016/J.Commatsci.2017.04.006  0.308
2016 Xu M, Ruan X, Yan J, Zhang Z, Yun J, Zhao W, Li T, Shi Y. Synthesis, growth mechanism, and photoluminescence property of hierarchical SnO2 nanoflower-rod arrays: an experimental and first principles study Journal of Materials Science. 51: 9613-9624. DOI: 10.1007/S10853-016-0169-0  0.326
2015 Fu G, Wang T, Cai J, Shi J, Luo Z, Li G, Li X, Zhang Z, Yang S. Formation of charge transfer complexes significantly improves the electron transfer process of polymer solar cells Organic Electronics. 18: 70-76. DOI: 10.1016/J.Orgel.2015.01.011  0.303
2015 Yun J, Zhang Z, Yan J, Zhao W, Xu M. First-principles study of B or Al-doping effect on the structural, electronic structure and magnetic properties of γ-graphyne Computational Materials Science. 108: 147-152. DOI: 10.1016/J.Commatsci.2015.06.022  0.315
2014 Tyagi R, Zhang Z, Pitzer RM. Electronic spectrum of the UO and UO(+) molecules. The Journal of Physical Chemistry. A. 118: 11758-67. PMID 25325820 DOI: 10.1021/Jp505722Y  0.652
2014 Chen Z, Zhang C, Zhang Z, Li J. Correlation of intercalation potential with d-electron configurations for cathode compounds of lithium-ion batteries. Physical Chemistry Chemical Physics : Pccp. 16: 13255-61. PMID 24871040 DOI: 10.1039/C4Cp00855C  0.316
2014 Yun J, Qu R, Zhang Z, Li J. Magnetic Properties of Well-Aligned ZnO Nanorod Arrays Grown by a Simple Hydrothermal Reaction Advances in Condensed Matter Physics. 2014: 1-6. DOI: 10.1155/2014/627975  0.32
2014 Zhang Z. Spin – orbit DFT with analytic gradients and applications to heavy element compounds Theoretical Chemistry Accounts. 133: 1588. DOI: 10.1007/S00214-014-1588-0  0.334
2012 Zhang Q, Zhang Z, Zhu Z, Schwingenschlögl U, Cui Y. Exotic topological insulator states and topological phase transitions in Sb2Se3-Bi2Se3 heterostructures. Acs Nano. 6: 2345-2352. PMID 22339126 DOI: 10.1021/Nn2045328  0.32
2012 Gupta C, Walker RM, Gharpuray R, Shulaker MM, Zhang Z, Javanmard M, Davis RW, Murmann B, Howe RT. Electrochemical quantum tunneling for electronic detection and characterization of biological toxins Proceedings of Spie - the International Society For Optical Engineering. 8373. DOI: 10.1117/12.920692  0.31
2012 Yan J, You T, Zhang Z, Tian J, Yun J, Zhao W. Effect of Sb-doping on the morphology and dielectric properties of chrysanthemum-like ZnO nanowire clusters Chinese Physics B. 21: 98001. DOI: 10.1088/1674-1056/21/9/098001  0.303
2012 Chen Z, Li J, Zhang Z. First principles investigation of electronic structure change and energy transfer by redox in inverse spinel cathodes LiNiVO4 and LiCoVO4 Journal of Materials Chemistry. 22: 18968-18974. DOI: 10.1039/C2Jm33026A  0.332
2011 Zhang F, Zhang W, Dong J, Zhang Z. First-Principles Study of Fe-Doped ZnO Nanowires Chinese Physics Letters. 28: 126102-126102. DOI: 10.1088/0256-307X/28/12/126102  0.308
2010 Zimmerman PM, Zhang Z, Musgrave CB. Singlet fission in pentacene through multi-exciton quantum states. Nature Chemistry. 2: 648-52. PMID 20651727 DOI: 10.1038/Nchem.694  0.326
2010 Zhang W, Zhang F, Zhang Z, Lu S, Yang Y. Electronic structure and magnetism of Fe-doped SiC nanotubes Science China-Physics Mechanics & Astronomy. 53: 1582-1589. DOI: 10.1007/S11433-010-4089-8  0.33
2009 Zimmerman PM, Toulouse J, Zhang Z, Musgrave CB, Umrigar CJ. Excited states of methylene from quantum Monte Carlo. The Journal of Chemical Physics. 131: 124103. PMID 19791848 DOI: 10.1063/1.3220671  0.304
2009 Yang T, Tyagi R, Zhang Z, Pitzer RM. Configuration interaction studies on the electronic states of the CUO molecule Molecular Physics. 107: 1193-1195. DOI: 10.1080/00268970902804534  0.636
2004 Vanroose W, Zhang Z, McCurdy CW, Rescigno TN. Threshold vibrational excitation of CO2 by slow electrons. Physical Review Letters. 92: 053201. PMID 14995303 DOI: 10.1103/Physrevlett.92.053201  0.301
2001 Lischka H, Shepard R, Pitzer RM, Shavitt I, Dallos M, Müller T, Szalay PG, Seth M, Kedziora GS, Yabushita S, Zhang Z. High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density Physical Chemistry Chemical Physics. 3: 664-673. DOI: 10.1039/B008063M  0.602
2001 Matsika S, Zhang Z, Brozell SR, Blaudeau JP, Wang Q, Pitzer RM. Electronic Structure and Spectra of Actinyl Ions Journal of Physical Chemistry A. 105: 3825-3828. DOI: 10.1021/Jp003085Z  0.559
2000 Blaudeau J-, Brozell SR, Matsika S, Zhang Z, Pitzer RM. Atomic orbital basis sets for use with effective core potentials International Journal of Quantum Chemistry. 77: 516-520. DOI: 10.1002/(Sici)1097-461X(2000)77:2<516::Aid-Qua2>3.0.Co;2-U  0.574
1999 Zhang Z, Pitzer RM. Application of relativistic quantum chemistry to the electronic energy levels of the uranyl ion Journal of Physical Chemistry A. 103: 6880-6886. DOI: 10.1021/Jp991867Q  0.329
1999 Yabushita S, Zhang Z, Pitzer RM. Spin-Orbit Configuration Interaction Using the Graphical Unitary Group Approach and Relativistic Core Potential and Spin-Orbit Operators Journal of Physical Chemistry A. 103: 5791-5800. DOI: 10.1021/Jp9901242  0.301
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