Lattice-work structure of a TiO2(001) surface studied by STM, core-level spectroscopies and DFT calculations

被引：22

作者：

Ariga, H. ^{[1
]}

Taniike, T. ^{[1
]}

Morikawa, H. ^{[1
]}

Tero, R. ^{[1
]}

Kondoh, H. ^{[2
]}

Iwasawa, Y. ^{[1
]}

机构：

[1] Univ Tokyo, Grad Sch Sci, Dept Chem, Bunkyo Ku, Tokyo 1130033, Japan

[2] Univ Tokyo, Sch Sci, Res Ctr Spectrochem, Bunkyo Ku, Tokyo 1130033, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 454卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2008.01.086

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：

The lattice-work structure of a rutile TiO2(001) surface, which is faceted to {114} plane, was studied by combining scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption. ne structure (NEXAFS) and density functional theory (DFT) calculations. Synchrotron XPS and NEXAFS spectra taken for the faceted surface indicated that this surface possesses a stoichiometric composition. We propose a new stoichiometric structure model on the basis of XPS, NEXAFS, and atomically-resolved STM observations. DFT calculations revealed that the present stoichiometric model is energetically more favorable compared to the previously proposed models. (c) 2008 Elsevier B.V. All rights reserved.

引用

页码：350 / 354

页数：5

共 20 条

[1] Oxygen vacancy promoting catalytic dehydration of formic acid on TiO2(110) by in situ scanning tunneling microscopic observation
Aizawa, M
Morikawa, Y
Namai, Y
Morikawa, H
Iwasawa, Y
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (40) : 18831 - 18838
[2] ARIGA H, UNPUB
[3] Organic reactions at well-defined oxide surfaces
Barteau, MA
[J]. CHEMICAL REVIEWS, 1996, 96 (04) : 1413 - 1430
[4] AB-INITIO ENERGY-ADJUSTED PSEUDOPOTENTIALS FOR ELEMENTS OF GROUPS 13-17
BERGNER, A
DOLG, M
KUCHLE, W
STOLL, H
PREUSS, H
[J]. MOLECULAR PHYSICS, 1993, 80 (06) : 1431 - 1441
[5] Direct visualization of defect-mediated dissociation of water on TiO2(110)
Bikondoa, O
Pang, CL
Ithnin, R
Muryn, CA
Onishi, H
Thornton, G
[J]. NATURE MATERIALS, 2006, 5 (03) : 189 - 192
[6] AN ALL-ELECTRON NUMERICAL-METHOD FOR SOLVING THE LOCAL DENSITY FUNCTIONAL FOR POLYATOMIC-MOLECULES
DELLEY, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (01) : 508 - 517
[7] The surface science of titanium dioxide
Diebold, U
[J]. SURFACE SCIENCE REPORTS, 2003, 48 (5-8) : 53 - 229
[8] ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 1ST-ROW TRANSITION-ELEMENTS
DOLG, M
WEDIG, U
STOLL, H
PREUSS, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) : 866 - 872
[9] THERMAL FACETING OF THE RUTILE TIO2(001) SURFACE
FIRMENT, LE
[J]. SURFACE SCIENCE, 1982, 116 (02) : 205 - 216
[10] Henrich V.E., 1996, The surface science of metal oxides

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