| 1 |
Influence of surface charge density on ligand-metal bonding: A DFT study of NH3 and HCOOH on Mg (0001) surface
Fang Z, Zhao Y, Wang HY, Wang JF, Zhu SJ, Jia Y, Cho JY, Guan SK
Applied Surface Science, 470, 893, 2019 |
| 2 |
Insight into the Mechanism of Ethylene Decomposition Over Co(0001) Surface: Formation of Carbon Species
Zhang MH, Huang HY, Yu YZ
Catalysis Letters, 149(3), 744, 2019 |
| 3 |
Adsorption and reaction of CO and H2O on WC(0001) surface: A first-principles investigation
Tong YJ, Wu SY, Chen HT
Applied Surface Science, 428, 579, 2018 |
| 4 |
Water Adsorption and Decomposition on Co(0001) Surface: A Computational Study
Zhang MH, Huang HY, Yu YZ
Catalysis Letters, 148(10), 3126, 2018 |
| 5 |
Adsorption of arginine, glycine and aspartic acid on Mg and Mg-based alloy surfaces: A first-principles study
Fang Z, Wang JF, Yang XF, Sun Q, Jia Y, Liu HR, Xi TF, Guan SK
Applied Surface Science, 409, 149, 2017 |
| 6 |
Site preference and diffusion of hydrogen during hydrogenation of Mg: A first-principles study
Xin JH, Wang JC, Du Y, Sun LX, Huang BY
International Journal of Hydrogen Energy, 41(5), 3508, 2016 |
| 7 |
Atomic geometry and electronic structure of Al0.25Ga0.75N(0001) surfaces covered with different coverages of cesium: A first-principle research
Yang MZ, Chang BK, Wang MS
Applied Surface Science, 326, 251, 2015 |
| 8 |
The regeneration mechanisms of sulfurized alpha-Fe2O3 surfaces under O-2 atmosphere: A density functional theory study
Wang BJ, Song JJ, Niu XQ, Ling LX
Fuel Processing Technology, 128, 238, 2014 |
| 9 |
Theoretical study on electronic structure and optical properties of Ga0.75Al0.25N(0001) surface
Yang MZ, Chang BK, Hao GH, Guo J, Wang HG, Wang MS
Applied Surface Science, 273, 111, 2013 |
| 10 |
A density functional theory study on the interaction mechanism between H2S and the alpha-Fe2O3(0001) surface
Song JJ, Niu XQ, Ling LX, Wang BJ
Fuel Processing Technology, 115, 26, 2013 |
