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Hydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: A trend study from first principles

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Date

2014

Authors

Fair, K.M.
Cui, X. Y.
Li, Li (Lily)
Shieh, C.C.
Zheng, Rongkun
Liu, Zongwen
Delley, B.
Ford, M J
Ringer, Simon P.
Stampfl, Catherine M

Journal Title

Journal ISSN

Volume Title

Publisher

American Physical Society

Abstract

Structural stability and hydrogen adsorption capacity are two key quantities in evaluating the potential of metal-adatom decorated graphene for hydrogen storage and related devices. We have carried out extensive density functional theory calculations for

Description

Keywords

Citation

URI

http://hdl.handle.net/1885/61112

Collections

ANU Research Publications

Source

Physical Review B

Type

Journal article

Book Title

Entity type

Access Statement

Open Access

License Rights

DOI

10.1103/PhysRevB.87.014102

Restricted until

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