67 citations · 158 across the 5 of their papers we have counts for
4 papers · 1 filter
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,…
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…
Effects of Hexagonal Boron Nitride Encapsulation on the Electronic Structure of Few-layer MoS
Xu Han, Jiangxiazi Lin, Junwei Liu +2
The hexagonal boron nitride (hBN) encapsulation has been widely used in the electronics applications of 2D materials to improve device performance by protecting 2D materials agains…
Tetrahedrally coordinated carbonates in Earth's lower mantle
Eglantine Boulard, Ding Pan, Giulia Galli +2
Carbonates are the main species that bring carbon deep into our planet through subduction. They are an important rock-forming mineral group, fundamentally distinct from silicates i…