52 citations · 169 across the 13 of their papers we have counts for
4 papers · 1 filter
Predicting a Two-dimensional P2S3 Monolayer: A Global Minimum Structure
Hang Xiao, Xiaoyang Shi, Feng Hao +3
Based on extensive evolutionary algorithm driven structural search, we propose a new diphosphorus trisulfide (P2S3) 2D crystal, which is dynamically, thermally and chemically stabl…
Prediction of a Two-dimensional Sulfur Nitride (S3N2) Solid for Nanoscale Optoelectronic Applications
Hang Xiao, Xiaoyang Shi, Feng Hao +3
Two-dimensional materials have attracted tremendous attention for their fascinating electronic, optical, chemical and mechanical properties. However, the band gaps of most 2D mater…
Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes
Xiangbiao Liao, Feng Hao, Hang Xiao +1
Using molecular dynamics (MD) simulations, we explore the structural stability and mechanical integrity of phosphorene nanotubes (PNTs), where the intrinsic strain in the tubular P…
Thermal conductivity of armchair black phosphorus nanotubes: a molecular dynamics study
Feng Hao, Xiangbiao Liao, Hang Xiao +1
The effects of size, strain, and vacancies on thermal properties of armchair black phosphorus nanotubes are investigated based on qualitative analysis from molecular dynamics simul…