Chemisorption geometry of formate on TiO2(110) by photoelectron diffraction

被引：76

作者：

Chambers, SA

Thevuthasan, S

Kim, YJ

Herman, GS

Wang, Z

Tober, E

Ynzunza, R

Morais, J

Peden, CHF

Ferris, K

Fadley, CS

机构：

[1] LAWRENCE BERKELEY NATL LAB, BERKELEY, CA 94720 USA

[2] UNIV CALIF DAVIS, DEPT PHYS, DAVIS, CA 95616 USA

来源：

CHEMICAL PHYSICS LETTERS | 1997年 / 267卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(97)00070-5

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：

We have combined photoelectron diffraction in both scanned-angle and scanned-energy modes with Hartree-Fock calculations to investigate the interface structure of HCOO- on TiO2(110). Formate anions bind through the oxygens to Ti cation rows along [001] with a 2 X periodicity and an O-C-O bond angle of 126 +/- 4 degrees. Each anion binds to two Ti cations with an adsorbate-substrate bond distance of 2.0 +/- 0.1 Angstrom.

引用

页码：51 / 57

页数：7

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