67 citations · 158 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2021
Ab initio molecular dynamics modelling of organic crystal electro-optical properties
Hovan Lee, Rui Hou, Ding Pan +2
Molecular dynamics calculations were preformed on organic crystals 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium tosylate (DAST) and 4-N,N-dimethylamino-4'-N'-methylstilbazolium 2,…
physics.comp-ph2021★ 1 cited
Raman spectra of hydrocarbons under extreme conditions of pressure and temperature: a first-principles study
Rui Hou, Ding Pan
Hydrocarbons are of great importance in carbon-bearing fluids in deep Earth and in ice giant planets at extreme pressure (P)-temperature (T) conditions. Raman spectroscopy is a pow…
cond-mat.mtrl-sci2021
Role of topological surface states and mirror symmetry in topological crystalline insulator SnTe as an efficient electrocatalyst
Qing Qu, Bin Liu, Hongtao Liu +4
The surface orientation dependence on the hydrogen evolution reaction (HER) performance of topological crystalline insulator (TCI) SnTe thin films is studied. Their intrinsic activ…