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author:

Jia, Tian-Tian (Jia, Tian-Tian.) [1] | Lu, Chun-Hai (Lu, Chun-Hai.) [2] | Zhang, Yong-Fan (Zhang, Yong-Fan.) [3] (Scholars:章永凡) | Chen, Wen-kai (Chen, Wen-kai.) [4] (Scholars:陈文凯)

Indexed by:

EI Scopus SCIE

Abstract:

The catalytic oxidation of CO on Pd-anchored graphene oxide (Pd-GO) and Pd-embedded vacancy graphene (Pd-VG) is investigated by density functional theory calculations. The results validate both Pd-GO and Pd-VG show good catalytic performance for CO oxidation. Meanwhile, the more positive charge for Pd adatom and the lower reaction energy barrier make Pd-VG system slightly superior than Pd-GO system in catalytic performance. The reaction proceeds via Langmuir-Hinshelwood mechanism with a two-step route (CO + O-2 -> OOCO -> CO2 + O), followed by the Eley-Rideal mechanism (CO + O -> CO2). However, the synthesis of Pd-VG is more difficult in experiments compared with the readily available Pd-GO. Hence, graphene oxide may serve as the alternative substrate to deposit Pd nanoparticles.

Keyword:

Atmospheric pollution CO catalytic oxidation DFT Graphene oxide Pd

Community:

  • [ 1 ] [Jia, Tian-Tian]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 2 ] [Zhang, Yong-Fan]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 3 ] [Chen, Wen-kai]Fuzhou Univ, Dept Chem, Fuzhou 350116, Peoples R China
  • [ 4 ] [Lu, Chun-Hai]Chengdu Univ Technol, Coll Appl Nucl Technol & Automat Engn, Chengdu 610059, Peoples R China
  • [ 5 ] [Chen, Wen-kai]Fuzhou Univ, Res Inst Photocatalysis, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 陈文凯

    [Chen, Wen-kai]Fuzhou Univ, Res Inst Photocatalysis, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China

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Source :

JOURNAL OF NANOPARTICLE RESEARCH

ISSN: 1388-0764

Year: 2014

Issue: 2

Volume: 16

2 . 1 8 4

JCR@2014

2 . 1 0 0

JCR@2023

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:355

JCR Journal Grade:2

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 61

SCOPUS Cited Count: 43

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

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