1 citations · 3 across the 4 of their papers we have counts for
5 papers
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…
Humidity Effect on Diffusion and Structure of a Moisture-Swing CO2 Sorbent
Xiaoyang Shi, Hang Xiao, Xi Chen +2
Ion hydrations are ubiquitous in natural and fundamental processes. A quantitative analysis of a novel CO2 sorbent driven by ion hydrations was presented by molecular dynamics (MD)…
The catalytic effect of water in basic hydrolysis of CO in hydrated clusters
Hang Xiao, Xiaoyang Shi, Yayun Zhang +4
The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affe…
A Carbon Dioxide Absorption System Driven by Water Quantity
Xiaoyang Shi, Hang Xiao, Xi Chen +1
A novel system containing nanoporous materials and carbonate ions is proposed, which is capable to capture CO2 from ambient air simply by controlling the amount of water (humidity)…
Prediction of a Two-dimensional Phosphorus Nitride Monolayer
Hang Xiao, Feng Hao, Xiangbiao Liao +3
Today, 2D semiconductor materials have been extended into the nitrogen group: phosphorene, arsenene, antimonene and even nitrogene. Motivated by them, based upon first-principles d…