Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2019
Novel two-dimensional photocatalyst SnN3 for overall water splitting with enhanced visible-light absorption
Shengyao Wu, Yanqing Shen, Xu Gao +2
We propose a novel excellent two-dimensional photocatalyst SnN3 monolayer using first-principles calculations. The stability of SnN3 monolayer have been examined via formation ener…
cond-mat.mtrl-sci2015
Novel lithium-nitrogen compounds at ambient and high pressures
Yanqing Shen, Artem R. Oganov, Guangri Qian +3
Using ab initio evolutionary simulations, we predict the existence of five novel stable Li-N compounds at pressures from 0 to 100 GPa (Li13N, Li5N, Li3N2, LiN2, and LiN5). Structur…