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

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...

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Bibliographic Details
Main Authors: Hongbo Qin, Chuang Feng, Xinghe Luan, Daoguo Yang
Format: Article
Language:English
Published: SpringerOpen 2018-09-01
Series:Nanoscale Research Letters
Subjects:
Penta-graphene
Gas molecule
Adsorption behavior
Gas sensing
First principles
Online Access:http://link.springer.com/article/10.1186/s11671-018-2687-y

Internet

http://link.springer.com/article/10.1186/s11671-018-2687-y

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