Bonding of Methyl Phosphonate to TiO2(110)

被引：22

作者：

Pang, C. L. ^{[1
,2
,3
]}

Watkins, M. ^{[1
]}

Cabailh, G. ^{[1
,2
]}

Ferrero, S. ^{[3
]}

Ngo, L. T. ^{[3
]}

Chen, Q. ^{[1
,2
]}

Humphrey, D. S. ^{[1
,2
]}

Shluger, A. L. ^{[1
]}

Thornton, G. ^{[1
,2
]}

机构：

[1] UCL, London Ctr Nanotechnol, London WC1H 0AJ, England

[2] UCL, Dept Chem, London WC1H 0AJ, England

[3] Univ Manchester, Dept Chem, Manchester M13 9PL, Lancs, England

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2010年 / 114卷 / 40期

基金：

英国工程与自然科学研究理事会;

关键词：

ADSORPTION; SURFACE; TIO2; MOLECULES; ACID; PSEUDOPOTENTIALS; ACCURATE; DEFECTS;

D O I：

10.1021/jp1018923

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 used scanning tunneling, microscopy (STM), noncontact atomic force microscopy (NC-AFM), low energy electron diffraction (LEED), and ab initio calculations to study adsorbates resulting from exposure of rutile TiO2(110)1 x 1 to methyl phosphonic acid (Ch(3)P=O(OH)(2)). At low exposures, adsorbates appear on the 5-fold coordinated Ti (Ti-5c) rows. As the coverage of adsorbates approaches 0.5 ML. STM images show an ordered 2 x 1 overlayer consistent with LEED. We propose that the phosphonic acid is deprotonated with the resulting phosphonate bridging across two adjacent Ti-5c atoms in the [001] direction. This bridging conformation would lead to the observed 2 x 1 overlayer and is analogous to that found for a range of carboxylates adsorbed on TiO2(110).

引用

页码：16983 / 16988

页数：6

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