AB-INITIO STUDY OF THE EFFECT OF OXYGEN DEFECT ON THE STRONG-METAL-SUPPORT INTERACTION BETWEEN PT AND TIO2(RUTILE)(110) SURFACE

被引：1
|
作者：
XU, WX [1 ]
SCHIERBAUM, KD [1 ]
GOEPEL, W [1 ]
机构：
[1] UNIV TUBINGEN,INST PHYS & THEORET,TUBINGEN,GERMANY
来源：
JOURNAL OF SOLID STATE CHEMISTRY | 1995年 / 119卷 / 02期
关键词：
D O I：
暂无
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The interaction between Pt and ideal and oxygen-defective TiO2(rutile)(110) surfaces are studied by ab initio SCF methods. The result reveals that the interaction between the Pt and TiO2 is very strong; the bond energy reaches 16.5 eV for the ideal surface and 23.0 eV for the oxygen-defective TiO2(rutile)(110) surface. It seems that Pt is preferentially adsorbed upon the oxygen vacant site on the TiO2(rutile)(110) surface. Based on the density of states and charge distribution, a more detailed discussion about the SMSI effect between Pt and TiO2(rutile)(110) is presented. (C) 1995 Academic Press, Inc.
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页码：237 / 245
页数：9
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