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[期刊论文]

Effects of N-doping concentration on graphene structures and properties

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author:

Yin, Wei (Yin, Wei.) [1] | Jia, Tian-Tian (Jia, Tian-Tian.) [2] | Guo, Xin (Guo, Xin.) [3] | Unfold

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EI Scopus SCIE

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.

Community:

  • [ 1 ] [Yin, Wei]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 2 ] [Jia, Tian-Tian]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 3 ] [Huang, Xin]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 4 ] [Zhang, Yong-Fan]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 5 ] [Chen, Wen-Kai]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 6 ] [Guo, Xin]Huazhong Univ Sci & Technol, State Key Lab Coal Combust, Wuhan 430074, Peoples R China
  • [ 7 ] [Chen, Wen-Kai]Fuzhou Univ, Fujian Prov Key Lab Photo catalysis, State Key Lab Breeding Base, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 陈文凯

    [Chen, Wen-Kai]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China

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Source :

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

Cited Count:

WoS CC Cited Count: 8

SCOPUS Cited Count: 8

30 Days PV: 0

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