Publication
Title
Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles
Author
Abstract
We performed ab initio density-functional theory calculations to investigate the process of hydrogenation of a bilayer of graphene. 50% hydrogen coverage is possible in case that the hydrogen atoms are allowed to adsorb on both sides of the bilayer. In this case interlayer chemical bonding occurs which stabilizes the structure. At maximum coverage, a bilayer of graphane is formed which has properties that are similar to those of a single layer of graphane.
Language
English
Source (journal)
Physical review : B : solid state. - Lancaster, Pa, 1970 - 1978
Publication
Lancaster, Pa : 2009
ISSN
0556-2805
Volume/pages
80:24(2009), p. 245422,1-245422,6
ISI
000273229200126
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 16.02.2010
Last edited 20.06.2017
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