Atomic nitrogen chemisorption on graphene with extended line defects

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Detail(s)

Original languageEnglish
Pages (from-to)21167-21172
Journal / PublicationJournal of Materials Chemistry
Volume22
Issue number39
Publication statusPublished - 21 Oct 2012

Abstract

The adsorption of N atoms onto a graphene substrate with extended line defects (ELDs) has been investigated by first-principles calculations. In the presence of recently observed extended line defects, the N adatom can be adsorbed onto both top and bridge sites of the graphene lattice. We demonstrate that chemisorption on ELDs in graphene can substantially affect their structural and electronic properties, depending in particular on specific adsorption sites and density. We also find that magnetism can be induced in ELD-graphene by nitrogenation at suitable N densities; a higher density of N adsorption onto the core carbon atoms of the ELD removes this. © 2012 The Royal Society of Chemistry.

Citation Format(s)

Atomic nitrogen chemisorption on graphene with extended line defects. / Li, Yu; Ren, Ji-Chang; Zhang, Rui-Qin; Lin, Zijing; Van Hove, Michel A.

In: Journal of Materials Chemistry, Vol. 22, No. 39, 21.10.2012, p. 21167-21172.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review