| 1 |
A comprehensive DFT study of CO2 catalytic conversion by H-2 over Pt-doped Ni catalysts
Ou ZL, Qin CL, Niu JT, Zhang LH, Ran JY
International Journal of Hydrogen Energy, 44(2), 819, 2019 |
| 2 |
Adsorption of acetylene on ordered NixAg1-x/Ni (111) and effect of Ag-dopant: A DFT study
Zhou YN, Sun WJ, Chu W, Zheng J, Gao XP, Zhou X, Xue Y
Applied Surface Science, 435, 521, 2018 |
| 3 |
Mechanism studies concerning carbon deposition effect of CO methanation on Ni-based catalyst through DFT and TPSR methods
Han XX, Yang JZ, Guo HL, Qin ZF, Zhao SY, Lu YX, Li Z, Ren J
International Journal of Hydrogen Energy, 41(20), 8401, 2016 |
| 4 |
First-principles study of oxygen coverage effect on hydrogen oxidation on Ni(111) surface
Liu SX, Ishimoto T, Koyama M
Applied Surface Science, 333, 86, 2015 |
| 5 |
Insights into the mechanisms of CO2 methanation on Ni(111) surfaces by density functional theory
Ren J, Guo HL, Yang JZ, Qin ZF, Lin JY, Li Z
Applied Surface Science, 351, 504, 2015 |
| 6 |
Dimethylamine formation from N-nitrosodimethylamine adsorbed on the Ni{111} surface from first principles
Ranea VA
Journal of Molecular Catalysis A-Chemical, 392, 157, 2014 |
| 7 |
Atomic and electronic structure of both perfect and nanostructured Ni(111) surfaces: First-principles calculations
Piskunov S, Zvejnieks G, Zhukovskii YF, Bellucci S
Thin Solid Films, 519(11), 3745, 2011 |
| 8 |
First-principles-based molecular simulation of heterogeneous catalytic surface chemistry
Neurock M, Hansen EW
Computers & Chemical Engineering, 22(S), 1045, 1998 |
| 9 |
The electrochemistry of nickel in a lithium-based solid polymer electrolyte in ultrahigh vacuum environments
Li LF, Totir D, Gofer Y, Chottiner GS, Scherson DA
Electrochimica Acta, 44(6-7), 949, 1998 |
| 10 |
Benzenethiol reaction on the clean and hydrogen pretreated Ni(100) surface
Kane SM, Huntley DR, Gland JL
Journal of Physical Chemistry B, 102(50), 10216, 1998 |
