Computer modeling of the V2O5/TiO2 interface

被引：42

作者：

Sayle, DC

Catlow, CRA

Perrin, MA

Nortier, P

机构：

[1] RHONE POULENC RECH, CTR RECH, F-93308 AUBERVILLIERS, FRANCE

[2] UCL ROYAL INST GREAT BRITAIN, LONDON W1X 4BS, ENGLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1996年 / 100卷 / 21期

关键词：

D O I：

10.1021/jp952562o

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Simulation techniques have been employed to investigate supported V2O5/TiO2 thin-film interfaces. Significant structural differences exist between the surface of a supported V2O5 monolayer on TiO2(anatase) compared with the unsupported V2O5 surface with implications for the catalysis of such materials.

引用

收藏

页码：8940 / 8945

页数：6

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