Ab Initio Investigation of the Adsorption of CO<sub>2</sub> Molecules on Defect Sites of Graphene Surfaces: Role of Local Vacancy Structures

Ab Initio Investigation of the Adsorption of CO<sub>2</sub> Molecules on Defect Sites of Graphene Surfaces: Role of Local Vacancy Structures

An in-depth investigation into the adsorption of CO<sub>2</sub> on graphene vacancies is essential for the understanding of their applications in various industries. Herein, we report an investigation of the effects of vacancy defects on CO<sub>2</sub> gas adsorption behavior...

Full description

Bibliographic Details
Main Authors: Cui Wang, Ziming Wang, Shujie Zhang, Jianliang Zhang, Kejiang Li
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Materials
Subjects:
CO<sub>2</sub> adsorption
graphene defects
vacancy
density functional theory
Online Access:https://www.mdpi.com/1996-1944/16/3/981

Internet

https://www.mdpi.com/1996-1944/16/3/981

Similar Items