Title
First-principles investigation of B- and N-doped fluorographeneFirst-principles investigation of B- and N-doped fluorographene
Author
Faculty/Department
Faculty of Sciences. Physics
Research group
Condensed Matter Theory
Publication type
article
Publication
Subject
Physics
Source (journal)
Physical Review B
Volume/pages
88(2013):3, p. 1-5
Article Reference
035434
ISI
000322083700002
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/ccd412/5369.pdf
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