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Abstract:
By means of density functional theory, N-doping concentration effects on graphene and alone Pt atom adsorption on N-doping graphene with various N-doping concentrations have been investigated. We found that N dopant atoms tended to be distributed in para positions and alone Pt atom was always adsorbed in the upside of C-C bridge site around the N dopant atoms. Furthermore, we inferred that N-doped graphene with dosage concentration higher than 8/32 would be hard to be prepared. In addition, the enhancement of Pt 6s and C 2p orbital bonding interaction improved the ability of Pt atom adsorption on N-doped graphene. (C) 2013 Elsevier B.V. All rights reserved.
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CHEMICAL PHYSICS LETTERS
ISSN: 0009-2614
Year: 2013
Volume: 581
Page: 74-79
1 . 9 9 1
JCR@2013
2 . 8 0 0
JCR@2023
ESI Discipline: CHEMISTRY;
JCR Journal Grade:3
CAS Journal Grade:3
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