Open AccessAb initio molecular dynamics study of the Eley-Rideal reaction of H + Cl–Au(111) → HCl + Au(111): Impact of energy dissipation to surface phonons and electron-hole pairs
Author(s) -
Linsen Zhou,
Xueyao Zhou,
M. Alducin,
Liang Zhang,
Bin Jiang,
Hua Guo
Publication year - 2018
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5016054
Subject(s) - chemistry , ab initio , excitation , atomic physics , phonon , atom (system on chip) , ab initio quantum chemistry methods , potential energy surface , reaction dynamics , dissipation , molecular physics , molecule , physics , condensed matter physics , thermodynamics , organic chemistry , quantum mechanics , computer science , embedded system
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