| Two-Dimensional Boron Monolayer Sheets X Wu, J Dai, Y Zhao, Z Zhuo, J Yang, XC Zeng ACS nano 6 (8), 7443-7453, 2012 | 816 | 2012 |
| Tunable Magnetism in a Nonmetal-Substituted ZnO Monolayer: A First-Principles Study H Guo, Y Zhao, N Lu, E Kan, XC Zeng, X Wu, J Yang The Journal of Physical Chemistry C 116 (20), 11336-11342, 2012 | 204 | 2012 |
| CO Oxidation on TiO2 (110) Supported Subnanometer Gold Clusters: Size and Shape Effects L Li, Y Gao, H Li, Y Zhao, Y Pei, Z Chen, XC Zeng Journal of the American Chemical Society, 2013 | 136 | 2013 |
| Half-metallicity in hybrid graphene/boron nitride nanoribbons with dihydrogenated edges Y Liu, X Wu, Y Zhao, XC Zeng, J Yang The Journal of Physical Chemistry C 115 (19), 9442-9450, 2011 | 110 | 2011 |
| Oxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study Y Zhao, X Wu, J Yang, XC Zeng Physical Chemistry Chemical Physics 14 (16), 5545-5550, 2012 | 103 | 2012 |
| Exploration of Structures of Two-Dimensional Boron–Silicon Compounds with sp2 Silicon J Dai, Y Zhao, X Wu, J Yang, XC Zeng The Journal of Physical Chemistry Letters 4 (4), 561-567, 2013 | 76 | 2013 |
| A density functional study on cationic AunCum+ clusters and their monocarbonyls Y Zhao, Z Li, J Yang Physical Chemistry Chemical Physics 11 (13), 2329-2334, 2009 | 45 | 2009 |
| Ab initio theoretical study of non-covalent adsorption of aromatic molecules on boron nitride nanotubes Y Zhao, X Wu, J Yang, XC Zeng Physical Chemistry Chemical Physics 13 (24), 11766-11772, 2011 | 44 | 2011 |
| Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure J Dai, Y Zhao, X Wu, XC Zeng, J Yang The Journal of Physical Chemistry C 117 (42), 22156-22161, 2013 | 42 | 2013 |
| First-Principles Molecular Dynamics Simulation of Atmospherically Relevant Anion Solvation in Supercooled Water Droplet Y Zhao, H Li, XC Zeng Journal of the American Chemical Society 135 (41), 15549-15558, 2013 | 39 | 2013 |
| Interaction between O< sub> 2</sub> and neutral/charged Au< i> n</i>(< i> n</i>= 1-3) Clusters: A comparative study between density-functional theory and coupled cluster … Y Zhao, NS Khetrapal, H Li, Y Gao, XC Zeng Chemical Physics Letters, 2013 | 18* | 2013 |
| REEXAMINATION OF LOW ENERGY STRUCTURES OF AND Au4 Y Gao, Y Zhao, XC Zeng Journal of Theoretical and Computational Chemistry 9 (supp01), 1-7, 2010 | 4 | 2010 |
