15 citations · 30 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2024★ 15 cited
Understanding and predicting trends in adsorption energetics on monolayer transition metal dichalcogenides
Brian H. Lee, Jameela Fatheema, Deji Akinwande +1
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have recently been shown to demonstrate non-volatile resistive switching (NVRS), offering significant advantages such a…
cond-mat.mtrl-sci2024★ 1 cited
Nature of point defects in monolayer MoS2 and the MoS2/(111)Au heterojunction
Roozbeh Anvari, Wennie Wang
Deposition of MoS2 on (111)-Au alters the electronic properties of MoS2. In this study, we investigate the free-standing MoS2 monolayer and the MoS2~\(111)-Au heterostructure, with…
cond-mat.mtrl-sci2020★ 14 cited
PyCDFT: A Python package for constrained density functional theory
He Ma, Wennie Wang, Siyoung Kim +3
We present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation o…