The Adsorption Behavior of Gas Molecules on Co/N Co–Doped Graphene

The Adsorption Behavior of Gas Molecules on Co/N Co–Doped Graphene

Herein, we have used density functional theory (DFT) to investigate the adsorption behavior of gas molecules on Co/N<sub>3</sub> co–doped graphene (Co/N<sub>3</sub>–gra). We have investigated the geometric stability, electric properties, and magnetic properties comprehensivel...

Full description

Bibliographic Details
Main Authors: Tingyue Xie, Ping Wang, Cuifeng Tian, Guozheng Zhao, Jianfeng Jia, Chenxu Zhao, Haishun Wu
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Molecules
Subjects:
density functional theory (DFT)
electronic properties
gas adsorption
Online Access:https://www.mdpi.com/1420-3049/26/24/7700

Internet

https://www.mdpi.com/1420-3049/26/24/7700

Similar Items