| Year |
Citation |
Score |
| 2024 |
Yang YX, Yang XH, Huang ML, Wu LW, Liu Z, Cheng J, Huang YF. Spectroscopic Elucidation of the Electrochemical Potential Drop at Polyelectrolytes/Au Interfaces. The Journal of Physical Chemistry Letters. 701-706. PMID 38214464 DOI: 10.1021/acs.jpclett.3c03111 |
0.323 |
|
| 2023 |
Li JQ, Hu JY, Cheng J. Water effect on the band edges of anatase TiO surfaces: A theoretical study on charge migration across surface heterojunctions and facet-dependent photoactivity. Physical Chemistry Chemical Physics : Pccp. PMID 37869989 DOI: 10.1039/d3cp03662f |
0.362 |
|
| 2023 |
Le JB, Chen A, Kuang Y, Cheng J. Molecular understanding of cation effects on double layers and their significance to CO-CO dimerization. National Science Review. 10: nwad105. PMID 37842071 DOI: 10.1093/nsr/nwad105 |
0.645 |
|
| 2023 |
Li XY, Jin XF, Yang XH, Wang X, Le JB, Cheng J. Molecular understanding of the Helmholtz capacitance difference between Cu(100) and graphene electrodes. The Journal of Chemical Physics. 158: 084701. PMID 36859091 DOI: 10.1063/5.0139534 |
0.773 |
|
| 2023 |
Wang F, Sun Y, Cheng J. Switching of Redox Levels Leads to High Reductive Stability in Water-in-Salt Electrolytes. Journal of the American Chemical Society. PMID 36758145 DOI: 10.1021/jacs.2c11793 |
0.376 |
|
| 2022 |
Zhuang YB, Bi RH, Cheng J. Resolving the odd-even oscillation of water dissociation at rutile TiO(110)-water interface by machine learning accelerated molecular dynamics. The Journal of Chemical Physics. 157: 164701. PMID 36319401 DOI: 10.1063/5.0126333 |
0.362 |
|
| 2022 |
Chen A, Le JB, Kuang Y, Cheng J. Publisher's Note: "Modeling stepped Pt/water interfaces at potential of zero charge with ab initio molecular dynamics" [J. Chem. Phys. 157, 094702 (2022)]. The Journal of Chemical Physics. 157: 149901. PMID 36243537 DOI: 10.1063/5.0126687 |
0.799 |
|
| 2022 |
Chen A, Le JB, Kuang Y, Cheng J. Modeling stepped Pt/water interfaces at potential of zero charge with ab initio molecular dynamics. The Journal of Chemical Physics. 157: 094702. PMID 36075723 DOI: 10.1063/5.0100678 |
0.812 |
|
| 2021 |
Zhang Y, Liu X, Cheng J, Lu X. Surface Acidity and As(V) Complexation of Iron Oxyhydroxides: Insights from First-Principles Molecular Dynamics Simulations. Environmental Science & Technology. PMID 34817156 DOI: 10.1021/acs.est.1c05343 |
0.646 |
|
| 2021 |
Yang XH, Cuesta A, Cheng J. The energetics of electron and proton transfer to CO in aqueous solution. Physical Chemistry Chemical Physics : Pccp. 23: 22035-22044. PMID 34570137 DOI: 10.1039/d1cp02824c |
0.752 |
|
| 2021 |
Le JB, Yang XH, Zhuang YB, Jia M, Cheng J. Recent Progress toward Ab Initio Modeling of Electrocatalysis. The Journal of Physical Chemistry Letters. 8924-8931. PMID 34499508 DOI: 10.1021/acs.jpclett.1c02086 |
0.789 |
|
| 2021 |
Le JB, Chen A, Li L, Xiong JF, Lan J, Liu YP, Iannuzzi M, Cheng J. Modeling Electrified Pt(111)-H/Water Interfaces from Ab Initio Molecular Dynamics. Jacs Au. 1: 569-577. PMID 34467320 DOI: 10.1021/jacsau.1c00108 |
0.821 |
|
| 2021 |
Li XY, Chen A, Yang XH, Zhu JX, Le JB, Cheng J. Linear Correlation between Water Adsorption Energies and Volta Potential Differences for Metal/water Interfaces. The Journal of Physical Chemistry Letters. 7299-7304. PMID 34319117 DOI: 10.1021/acs.jpclett.1c02001 |
0.798 |
|
| 2021 |
Jia M, Zhang C, Cheng J. Origin of Asymmetric Electric Double Layers at Electrified Oxide/Electrolyte Interfaces. The Journal of Physical Chemistry Letters. 4616-4622. PMID 33973792 DOI: 10.1021/acs.jpclett.1c00775 |
0.345 |
|
| 2020 |
Le JB, Fan QY, Li JQ, Cheng J. Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface. Science Advances. 6. PMID 33028519 DOI: 10.1126/sciadv.abb1219 |
0.811 |
|
| 2020 |
Su M, Dong JC, Le JB, Zhao Y, Yang WM, Yang ZL, Attard G, Liu GK, Cheng J, Wei YM, Tian ZQ, Li JF. In Situ Raman Study of CO Electrooxidation on Pt(hkl) Single Crystal Surfaces in Acidic Solution. Angewandte Chemie (International Ed. in English). PMID 32918778 DOI: 10.1002/Anie.202010431 |
0.78 |
|
| 2020 |
Jia M, Zhang C, Cox SJ, Sprik M, Cheng J. Computing surface acidity constants of proton hopping groups from density functional theory based molecular dynamics: application to SnO2(110)/H2O interface. Journal of Chemical Theory and Computation. PMID 32794753 DOI: 10.1021/Acs.Jctc.0C00021 |
0.738 |
|
| 2019 |
Yang XH, Cuesta A, Cheng J. A Computational Ag/AgCl Reference Electrode from Density Functional Theory-Based Molecular Dynamics. The Journal of Physical Chemistry. B. PMID 31693366 DOI: 10.1021/Acs.Jpcb.9B06650 |
0.716 |
|
| 2019 |
Wang YH, Le JB, Li WQ, Wei J, Radjenovic P, Zhang H, Zhou XS, Cheng J, Tian ZQ, Li JF. In situ Spectroscopic Insight into the Origin of the Enhanced Performance of Bimetallic nanocatalysts towards ORR. Angewandte Chemie (International Ed. in English). PMID 31513325 DOI: 10.1002/Anie.201908907 |
0.778 |
|
| 2019 |
Bodappa N, Su M, Zhao Y, Le JB, Yang WM, Radjenovic P, Dong JC, Cheng J, Tian ZQ, Li JF. Early Stages of Electrochemical Oxidation of Cu(111) and Polycrystalline Cu Surfaces Revealed by in situ Raman Spectroscopy. Journal of the American Chemical Society. PMID 31328527 DOI: 10.1021/Jacs.9B04638 |
0.75 |
|
| 2019 |
Huang X, Tang C, Li J, Chen LC, Zheng J, Zhang P, Le J, Li R, Li X, Liu J, Yang Y, Shi J, Chen Z, Bai M, Zhang HL, ... ... Cheng J, et al. Electric field-induced selective catalysis of single-molecule reaction. Science Advances. 5: eaaw3072. PMID 31245539 DOI: 10.1126/Sciadv.Aaw3072 |
0.524 |
|
| 2019 |
Li CY, Le JB, Wang YH, Chen S, Yang ZL, Li JF, Cheng J, Tian ZQ. In situ probing electrified interfacial water structures at atomically flat surfaces. Nature Materials. PMID 31036960 DOI: 10.1038/S41563-019-0356-X |
0.803 |
|
| 2018 |
Zhang J, Ye J, Fan Q, Jiang Y, Zhu Y, Li H, Cao Z, Kuang Q, Cheng J, Zheng J, Xie Z. Cyclic Penta-twinned Rhodium Nanobranches as Superior Catalysts for Ethanol Electro-oxidation. Journal of the American Chemical Society. PMID 30117323 DOI: 10.1021/jacs.8b03080 |
0.408 |
|
| 2018 |
He M, Liu X, Cheng J, Lu X, Zhang C, Wang R. Uranyl Arsenate Complexes in Aqueous Solution: Insights from First-Principles Molecular Dynamics Simulations. Inorganic Chemistry. PMID 29741893 DOI: 10.1021/acs.inorgchem.8b00136 |
0.608 |
|
| 2018 |
Le J, Fan Q, Perez-Martinez L, Cuesta A, Cheng J. Theoretical insight into the vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 29676413 DOI: 10.1039/C8Cp00615F |
0.813 |
|
| 2017 |
Le J, Iannuzzi M, Cuesta A, Cheng J. Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics. Physical Review Letters. 119: 016801. PMID 28731734 DOI: 10.1103/Physrevlett.119.016801 |
0.807 |
|
| 2016 |
Liu X, Cheng J, He M, Lu X, Wang R. Acidity constants and redox potentials of uranyl ions in hydrothermal solutions. Physical Chemistry Chemical Physics : Pccp. 18: 26040-26048. PMID 27711443 DOI: 10.1039/c6cp03469a |
0.59 |
|
| 2016 |
Liu X, Cheng J, Lu X, He M, Wang R. Redox potentials of aryl derivatives from hybrid functional based first principles molecular dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 27189031 DOI: 10.1039/c6cp01375a |
0.671 |
|
| 2016 |
Cheng J, VandeVondele J. Calculation of Electrochemical Energy Levels in Water Using the Random Phase Approximation and a Double Hybrid Functional. Physical Review Letters. 116: 086402. PMID 26967430 DOI: 10.1103/PhysRevLett.116.086402 |
0.375 |
|
| 2016 |
Meng AC, Cheng J, Sprik M. Density Functional Theory Calculation of the Band Alignment of (101̅0) InxGa1-xN/Water Interfaces. The Journal of Physical Chemistry. B. PMID 26829439 DOI: 10.1021/Acs.Jpcb.5B09807 |
0.718 |
|
| 2015 |
Liu X, Cheng J, Sprik M. Aqueous transition-metal cations as impurities in a wide gap oxide: the Cu(2+)/Cu(+) and Ag(2+)/Ag(+) redox couples revisited. The Journal of Physical Chemistry. B. 119: 1152-63. PMID 25386900 DOI: 10.1021/Jp506691H |
0.776 |
|
| 2014 |
Liu X, Cheng J, Lu X, Wang R. Surface acidity of quartz: understanding the crystallographic control. Physical Chemistry Chemical Physics : Pccp. 16: 26909-16. PMID 25376935 DOI: 10.1039/c4cp02955k |
0.627 |
|
| 2014 |
Cheng J, Liu X, VandeVondele J, Sulpizi M, Sprik M. Redox potentials and acidity constants from density functional theory based molecular dynamics. Accounts of Chemical Research. 47: 3522-9. PMID 25365148 DOI: 10.1021/Ar500268Y |
0.78 |
|
| 2014 |
Cheng J, Liu X, Kattirtzi JA, VandeVondele J, Sprik M. Aligning electronic and protonic energy levels of proton-coupled electron transfer in water oxidation on aqueous TiO₂. Angewandte Chemie (International Ed. in English). 53: 12046-50. PMID 25056713 DOI: 10.1002/Anie.201405648 |
0.776 |
|
| 2012 |
Adriaanse C, Cheng J, Chau V, Sulpizi M, VandeVondele J, Sprik M. Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water. The Journal of Physical Chemistry Letters. 3: 3411-5. PMID 26290964 DOI: 10.1021/Jz3015293 |
0.722 |
|
| 2012 |
Cheng J, Sprik M. Alignment of electronic energy levels at electrochemical interfaces. Physical Chemistry Chemical Physics : Pccp. 14: 11245-67. PMID 22806244 DOI: 10.1039/C2Cp41652B |
0.758 |
|
| 2011 |
Cheng J, Hu P. Theory of the kinetics of chemical potentials in heterogeneous catalysis. Angewandte Chemie (International Ed. in English). 50: 7650-4. PMID 21717533 DOI: 10.1002/Anie.201101459 |
0.414 |
|
| 2010 |
Cheng J, Sprik M. Acidity of the Aqueous Rutile TiO2(110) Surface from Density Functional Theory Based Molecular Dynamics. Journal of Chemical Theory and Computation. 6: 880-9. PMID 26613315 DOI: 10.1021/Ct100013Q |
0.737 |
|
| 2009 |
Cheng J, Sulpizi M, Sprik M. Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics. The Journal of Chemical Physics. 131: 154504. PMID 20568869 DOI: 10.1063/1.3250438 |
0.709 |
|
| 2008 |
Cheng J, Hu P. Utilization of the three-dimensional volcano surface to understand the chemistry of multiphase systems in heterogeneous catalysis. Journal of the American Chemical Society. 130: 10868-10869. PMID 18651740 DOI: 10.1021/Ja803555G |
0.437 |
|
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