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author:

Lin, Sen (Lin, Sen.) [1] (Scholars:林森) | Ye, Xinxin (Ye, Xinxin.) [2] | Huang, Jing (Huang, Jing.) [3]

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Scopus SCIE

Abstract:

Si-doped hexagonal boron nitride nanosheets (Si-BNNS) and nanotubes (Si-BNNT) have been investigated by first-principle methods. The strong interaction between the silicon atom and the hexagonal boron nitride nanosheet or nanotube with a boron vacancy indicates that such nanocomposites should be very stable. The significant charge transfer from the Si-BNNS substrate to the O-2 molecule, which could occupy the antibonding 2 pi* orbitals of O-2, results in the activation of the adsorbed O-2. The catalytic activity of the Si-BNNS for CO oxidation is explored and the calculated barrier (0.29 eV) of the reaction CO + O-2 -> CO2 + O is much lower than those on the traditional noble metals. This opens a new avenue to fabricate low cost and high activity boron nitride-based metal-free catalysts.

Keyword:

Community:

  • [ 1 ] [Lin, Sen]Fuzhou Univ, Res Inst Photocatalysis, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China
  • [ 2 ] [Ye, Xinxin]Fuzhou Univ, Res Inst Photocatalysis, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China
  • [ 3 ] [Huang, Jing]Fuzhou Univ, Res Inst Photocatalysis, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 林森

    [Lin, Sen]Fuzhou Univ, Res Inst Photocatalysis, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China

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Source :

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

ISSN: 1463-9076

Year: 2015

Issue: 2

Volume: 17

Page: 888-895

4 . 4 4 9

JCR@2015

2 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

ESI HC Threshold:265

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 89

SCOPUS Cited Count: 92

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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