First-principles investigation of adsorption behaviors of small molecules on penta-graphene

Abstract The gas-adsorption behaviors of small molecules CO, H2O, H2S, NH3, SO2, and NO on pristine penta-graphene (PG) were investigated using first-principles calculations to explore their potential for use as advanced gas-sensing materials. Results show that, except for CO, H2O, H2S, NH3, and SO2...

Celý popis

Podrobná bibliografie

Hlavní autoři:	Hongbo Qin, Chuang Feng, Xinghe Luan, Daoguo Yang
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	SpringerOpen 2018-09-01
Edice:	Nanoscale Research Letters
Témata:	Penta-graphene Gas molecule Adsorption behavior Gas sensing First principles
On-line přístup:	http://link.springer.com/article/10.1186/s11671-018-2687-y
Tagy:	Přidat tag Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!