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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 x 1) defect surface are proposed. (C) 2001 Elsevier Science B.V. All rights reserved.
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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
ESI Discipline： CHEMISTRY;
JCR Journal Grade：2
Cited Count：
WoS CC Cited Count： 28
SCOPUS Cited Count： 29
ESI Highly Cited Papers on the List： 0 Unfold All
WanFang Cited Count：
Chinese Cited Count：
30 Days PV： 1
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