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Adsorption of radon on transition metal functionalized graphene monolayer with external effects

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成果类型:
期刊论文
作者:
Zhou, Nan;Cheng, Guodong;Tan, Jie;Cheng, Jinjuan;Zhang, Yang;...
通讯作者:
Wu, XJ
作者机构:
[Wu, Feihong; Zhang, Yang; Wu, Xijun; Zhou, Nan; Wu, XJ] Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Peoples R China.
[Cheng, Guodong] Univ South China, Sch Comp Sci, Hengyang 421001, Peoples R China.
[Cheng, Jinjuan; Tan, Jie] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.
通讯机构:
[Wu, XJ ] U
Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Peoples R China.
语种:
英文
关键词:
External effects;Graphene;Radon;TM functionalized
期刊:
Colloids and Surfaces A: Physicochemical and Engineering Aspects
ISSN:
0927-7757
年:
2023
卷:
674
页码:
131881
基金类别:
Thanks to the computational support of Changsha Tianhe II supercomputer. I would like to declare on behalf of my co-authors that the work described was original research that has not been published previously, and not under consideration for publication elsewhere, in whole or in part. All the authors listed have approved the manuscript that is enclosed. Thank you and best regards.
机构署名:
本校为第一且通讯机构
院系归属:
核科学技术学院
数理学院
摘要:
The noble gas radon (Rn) is radioactive and can gravely harm the human body. As a result, capturing and dealing with Rn gas is an important task, in terms of radiation protection. The large specific surface area of graphene renders it a potential candidate for gas adsorption applications. Along these lines, in this work, theoretical calculations based on the density functional theory were presented to systematically explore the adsorption properties of Rn on transition metal (TM) functionalized graphene monolayer. The adsorption energies of Rn ...

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