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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
chemistry
Modelling magnetism of C at O and B monovacancies in graphene
Carbon, Volume 64, Year 2013
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Description
The presence of defects can introduce important changes in the electronic structure of graphene, leading to phenomena such as C magnetism. In addition, vacancies are reactive and permit the incorporation of dopants. This paper discusses the electronic properties of defective graphene for O and B decoration. Phonon calculations allow us to address directly the stability of the systems under study. We show that it is possible to obtain magnetic solutions with and without dangling bonds, demonstrating that C magnetism can be achieved in the presence of B and O. © 2013 Elsevier Ltd. All rights reserved.
Authors & Co-Authors
Kaloni, Thaneshwor P.
Saudi Arabia, Thuwal
King Abdullah University of Science and Technology
Upadhyay-Kahaly, Mousumi
Saudi Arabia, Thuwal
King Abdullah University of Science and Technology
Faccio, R.
Uruguay, Montevideo
Universidad de la Republica
Schwingenschlögl, Udo Erich
Saudi Arabia, Thuwal
King Abdullah University of Science and Technology
Statistics
Citations: 37
Authors: 4
Affiliations: 2
Identifiers
Doi:
10.1016/j.carbon.2013.07.062
ISSN:
00086223