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Quantum Tunneling Enhanced Hydrogen Desorption from Graphene Surface: Atomic versus Molecular Mechanism

文献类型：期刊论文

作者Tong, Yangwu1,2; Yang, Yong1,2
刊名CHINESE PHYSICS LETTERS
出版日期2024-08-01
卷号41
ISSN号0256-307X
DOI10.1088/0256-307X/41/8/086801
通讯作者Yang, Yong(yyanglab@issp.ac.cn)
英文摘要We study the desorption mechanism of hydrogen isotopes from graphene surface using first-principles calculations, with focus on the effects of quantum tunneling. At low temperatures, quantum tunneling plays a dominant role in the desorption process of both hydrogen monomers and dimers. In the case of dimer desorption, two types of mechanisms, namely the traditional one-step desorption in the form of molecules (molecular mechanism), and the two-step desorption in the form of individual atoms (atomic mechanism), are studied and compared. For the ortho-dimers, the dominant desorption mechanism is found to switch from the molecular mechanism to the atomic mechanism above a critical temperature, which is similar to 300 K and 200 K for H and D, respectively.
WOS关键词TRITIUM RETENTION ; H-2 FORMATION ; H-ATOMS ; ADSORPTION ; WALL
资助项目National Natural Science Foundation of China[12074382] ; National Natural Science Foundation of China[11474285]
WOS研究方向Physics
语种英语
WOS记录号WOS:001307373400001
出版者IOP Publishing Ltd
资助机构National Natural Science Foundation of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/135082]  
专题中国科学院合肥物质科学研究院
通讯作者Yang, Yong
作者单位1.Univ Sci & Technol China, Grad Sch, Sci Isl Branch, Hefei 230026, Peoples R China
2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Photovolta & Energy Conservat Mat, HFIPS, Hefei 230031, Peoples R China
推荐引用方式
GB/T 7714		 Tong, Yangwu,Yang, Yong. Quantum Tunneling Enhanced Hydrogen Desorption from Graphene Surface: Atomic versus Molecular Mechanism[J]. CHINESE PHYSICS LETTERS,2024,41.
APA Tong, Yangwu,&Yang, Yong.(2024).Quantum Tunneling Enhanced Hydrogen Desorption from Graphene Surface: Atomic versus Molecular Mechanism.CHINESE PHYSICS LETTERS,41.
MLA Tong, Yangwu,et al."Quantum Tunneling Enhanced Hydrogen Desorption from Graphene Surface: Atomic versus Molecular Mechanism".CHINESE PHYSICS LETTERS 41(2024).

入库方式： OAI收割

来源：合肥物质科学研究院

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