Geometric, electronic, and bonding properties of AuNM (N= 1–7, M= Ni, Pd, Pt) clusters DW Yuan, Y Wang, Z Zeng The Journal of chemical physics 122 (11), 114310, 2005 | 214 | 2005 |
Correlation between structure, phonon spectra, thermal expansion, and thermomechanics of single-layer MoS 2 LF Huang, PL Gong, Z Zeng Physical Review B 90 (4), 045409, 2014 | 186 | 2014 |
First-principles study on the enhancement of lithium storage capacity in boron doped graphene X Wang, Z Zeng, H Ahn, G Wang Applied Physics Letters 95 (18), 183103, 2009 | 179 | 2009 |
Density-functional investigation of metal-silicon cage clusters M Si n (M= Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn; n= 8–16) L Guo, G Zhao, Y Gu, X Liu, Z Zeng Physical Review B 77 (19), 195417, 2008 | 149 | 2008 |
Search for ferromagnetism in SnO2 doped with transition metals (V, Mn, Fe, and Co) XL Wang, ZX Dai, Z Zeng Journal of Physics: Condensed Matter 20 (4), 045214, 2008 | 126 | 2008 |
Boron-tuned bonding mechanism of Li-graphene complex for reversible hydrogen storage CS Liu, Z Zeng Applied Physics Letters 96 (12), 123101, 2010 | 123 | 2010 |
Phonon properties, thermal expansion, and thermomechanics of silicene and germanene LF Huang, PL Gong, Z Zeng Physical Review B 91 (20), 205433, 2015 | 112 | 2015 |
A density-functional study of small titanium clusters SH Wei, Z Zeng, JQ You, XH Yan, XG Gong The Journal of Chemical Physics 113 (24), 11127-11133, 2000 | 110 | 2000 |
Building half-metallicity in graphene nanoribbons by direct control over edge states occupation XH Zheng, XL Wang, TA Abtew, Z Zeng The Journal of Physical Chemistry C 114 (9), 4190-4193, 2010 | 108 | 2010 |
Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons XH Zheng, I Rungger, Z Zeng, S Sanvito Physical Review B 80 (23), 235426, 2009 | 101 | 2009 |
Changes of coupling between the electrodes and the molecule under external bias bring negative differential resistance X Shi, X Zheng, Z Dai, Y Wang, Z Zeng The Journal of Physical Chemistry B 109 (8), 3334-3339, 2005 | 101 | 2005 |
Dangling bond states, edge magnetism, and edge reconstruction in pristine and B/N-terminated zigzag graphene nanoribbons LL Song, XH Zheng, RL Wang, Z Zeng The Journal of Physical Chemistry C 114 (28), 12145-12150, 2010 | 94 | 2010 |
Pressure induced thermoelectric enhancement in SnSe crystals Y Zhang, S Hao, LD Zhao, C Wolverton, Z Zeng Journal of Materials Chemistry A 4 (31), 12073-12079, 2016 | 93 | 2016 |
Roles of Mass, Structure, and Bond Strength in the Phonon Properties and Lattice Anharmonicity of Single-Layer Mo and W Dichalcogenides LF Huang, Z Zeng The Journal of Physical Chemistry C 119 (32), 18779-18789, 2015 | 89 | 2015 |
Saturated adsorption of CO and coadsorption of CO and O2 on AuN−(N= 2–7) clusters DW Yuan, Z Zeng The Journal of chemical physics 120 (14), 6574-6584, 2004 | 84 | 2004 |
Hydrogen storage in Li-doped charged single-walled carbon nanotubes M Ni, L Huang, L Guo, Z Zeng international journal of hydrogen energy 35 (8), 3546-3549, 2010 | 82 | 2010 |
Effects of contact geometry on transport properties of a Si 4 cluster ZX Dai, XH Zheng, XQ Shi, Z Zeng Physical Review B 72 (20), 205408, 2005 | 82 | 2005 |
The role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2 VI Anisimov, MA Korotin, IA Nekrasov, AS Mylnikova, AV Lukoyanov, ... Journal of Physics: Condensed Matter 18 (5), 1695, 2006 | 76 | 2006 |
Electrostatic spin crossover in a molecular junction of a single-molecule magnet Fe 2 H Hao, XH Zheng, LL Song, RN Wang, Z Zeng Physical review letters 108 (1), 017202, 2012 | 75 | 2012 |
First-principles study on the electronic, optical and thermodynamic properties of ABO 3 (A= La, Sr, B= Fe, Co) perovskites T Jia, Z Zeng, HQ Lin, Y Duan, P Ohodnicki RSC Advances 7 (62), 38798-38804, 2017 | 72 | 2017 |