Theoretical study of adsorbed-decomposition of NO, CO and CH2O on a TiO2(1 1 0) (1×1) defect surface - Details

author：

Li, J. (Li, J..) ^[1] | Wu, L. (Wu, L..) ^[2] | Zhang, Y. (Zhang, Y..) ^[3]

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Abstract：

Based　on　an　ab　initio　method,　the　optimization　of　possible　geometry　structures　and　the　calculation　of　the　adsorbed　energies,　charges　and　populations　have　been　carried　out　for　the　adsorbed-decomposition　of　NO,　CO　and　CH2O　on　a　TiO2(110)　defect　surface.　The　orbital　interaction　particulars　and　a　promising　mechanism　of　the　adsorbed-decomposition　of　NO　on　TiO2(110)　(1×1)　defect　surface　are　proposed.　©　2001　Elsevier　Science　B.V.

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[ 1 ] [Li, J.]Department of Chemistry, Fuzhou University, Fuzhou, 350002, Fujian, China
[ 2 ] [Wu, L.]Stt. Key Lab. of Struct. Chemistry, Fuzhou, 350002, Fujian, China
[ 3 ] [Zhang, Y.]Department of Chemistry, Fuzhou University, Fuzhou, 350002, Fujian, China

Reprint 's Address：

[Li, J.]Department of Chemistry, Fuzhou University, Fuzhou, 350002, Fujian, China

Email：

jqli@fzu.edu.cn

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Source ：

Chemical Physics Letters

ISSN： 0009-2614

Year： 2001

Issue： 3-4

Volume： 342

Page： 249-258

2 . 3 6 4

JCR@2001

2 . 8 0 0

JCR@2023

JCR Journal Grade：2

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SCOPUS Cited Count： 28

ESI Highly Cited Papers on the List： 0 Unfold All

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30 Days PV： 1

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