Effects of N-doping concentration on graphene structures and properties - Details

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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.　©　2013　Elsevier　B.V.　All　rights　reserved.

Keyword：

Atoms Chemical bonds Density functional theory Doping (additives) Graphene Platinum

Community：

[ 1 ] [Yin, Wei]Department of Chemistry, Fuzhou University, Fuzhou 350116, China
[ 2 ] [Jia, Tian-Tian]Department of Chemistry, Fuzhou University, Fuzhou 350116, China
[ 3 ] [Guo, Xin]State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074, China
[ 4 ] [Huang, Xin]Department of Chemistry, Fuzhou University, Fuzhou 350116, China
[ 5 ] [Zhang, Yong-Fan]Department of Chemistry, Fuzhou University, Fuzhou 350116, China
[ 6 ] [Chen, Wen-Kai]Department of Chemistry, Fuzhou University, Fuzhou 350116, China
[ 7 ] [Chen, Wen-Kai]Fujian Provincial Key Laboratory of Photocatalysis-State Key Laboratory Breeding Base, Fuzhou University, Fuzhou 350002, China

Reprint 's Address：

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qc2008@fzu.edu.cn

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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

JCR Journal Grade：3

CAS Journal Grade：3

Cited Count：

WoS CC Cited Count：

SCOPUS Cited Count： 8

WanFang Cited Count：

Chinese Cited Count：

30 Days PV： 2

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