| Vacancy-induced magnetism in ZnO thin films and nanowires Q Wang, Q Sun, G Chen, Y Kawazoe, P Jena Physical Review B—Condensed Matter and Materials Physics 77 (20), 205411, 2008 | 495 | 2008 |
| Chemisorption of hydrogen molecules on carbon nanotubes under high pressure SP Chan, G Chen, XG Gong, ZF Liu Physical review letters 87 (20), 205502, 2001 | 187 | 2001 |
| Lattice thermal conductivity evaluated using elastic properties T Jia, G Chen, Y Zhang Physical Review B 95 (15), 155206, 2017 | 157 | 2017 |
| Oxidation of Carbon Nanotubes by Singlet SP Chan, G Chen, XG Gong, ZF Liu Physical review letters 90 (8), 086403, 2003 | 154 | 2003 |
| CO catalytic oxidation on iron-embedded hexagonal boron nitride sheet P Zhao, Y Su, Y Zhang, SJ Li, G Chen Chemical Physics Letters 515 (1-3), 159-162, 2011 | 96 | 2011 |
| Experimental and Theoretical Investigation of Single Cu, Ag, and Au Atoms Adsorbed <?format ?>on C Zhang, G Chen, K Wang, H Yang, T Su, CT Chan, MMT Loy, X Xiao Physical review letters 94 (17), 176104, 2005 | 96 | 2005 |
| Penta-BxNy sheet: a density functional theory study of two-dimensional material J Li, X Fan, Y Wei, G Chen Scientific reports 6, 31840, 2016 | 88 | 2016 |
| Structure of SiAu16: can a silicon atom be stabilized in a gold cage? Q Sun, Q Wang, G Chen, P Jena The Journal of chemical physics 127 (21), 2007 | 60 | 2007 |
| Theoretical study of hydrogen storage by spillover on porous carbon materials JH Guo, SJ Li, Y Su, G Chen International Journal of Hydrogen Energy 45 (48), 25900-25911, 2020 | 57 | 2020 |
| Large Low Bias Negative Differential Resistance in an Endohedral Li@C60 Dimer Junction P Zhao, DS Liu, Y Zhang, Y Su, HY Liu, SJ Li, G Chen The Journal of Physical Chemistry C 116 (14), 7968-7974, 2012 | 56 | 2012 |
| Interaction between a single Pt atom and a carbon nanotube studied by density functional theory G Chen, Y Kawazoe Physical Review B—Condensed Matter and Materials Physics 73 (12), 125410, 2006 | 54 | 2006 |
| Modulation of rectification and negative differential resistance in graphene nanoribbon by nitrogen doping P Zhao, DS Liu, SJ Li, G Chen Physics Letters A 377 (15), 1134-1138, 2013 | 51 | 2013 |
| Half-metallicity and ferromagnetism in penta-AlN2 nanostructure J Li, X Fan, Y Wei, H Liu, S Li, P Zhao, G Chen Scientific Reports 6, 33060, 2016 | 50 | 2016 |
| Hydrogen storage capacity of C60 (OM) 12 (M= Li and Na) clusters Q Peng, G Chen, H Mizuseki, Y Kawazoe The Journal of chemical physics 131 (21), 2009 | 50 | 2009 |
| Replacement micro-mechanism of CH4 hydrate by N2/CO2 mixture revealed by ab initio studies J Liu, Y Yan, J Xu, S Li, G Chen, J Zhang Computational Materials Science 123, 106-110, 2016 | 48 | 2016 |
| Low bias negative differential resistance in C60 dimer modulated by gate voltage P Zhao, DS Liu, HY Liu, SJ Li, G Chen Organic Electronics 14 (4), 1109-1115, 2013 | 48 | 2013 |
| Theoretical study of the adsorption of on (3,3) carbon nanotubes G Chen, XG Gong, CT Chan Physical Review B—Condensed Matter and Materials Physics 72 (4), 045444, 2005 | 48 | 2005 |
| New carbon allotropes with metallic conducting properties: a first-principles prediction X Fan, J Li, G Chen RSC advances 7 (28), 17417-17426, 2017 | 46 | 2017 |
| Ab initio study of the molecular hydrogen occupancy in pure H2 and binary H2-THF clathrate hydrates J Liu, J Hou, J Xu, H Liu, G Chen, J Zhang International journal of hydrogen energy 42 (27), 17136-17143, 2017 | 43 | 2017 |
| Structures of neutral and anionic Au16 clusters revisited G Chen, Q Wang, Q Sun, Y Kawazoe, P Jena The Journal of chemical physics 132 (19), 2010 | 40 | 2010 |
