Structure of the TiO2-x(100)-1x3 surface by direct methods

被引：31

作者：

Landree, E ^{[1
]}

Marks, LD

Zschack, P

Gilmore, CJ

机构：

[1] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA

[2] Univ Illinois, Mat Res Lab, Urbana, IL 61801 USA

[3] Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland

来源：

SURFACE SCIENCE | 1998年 / 408卷 / 1-3期

基金：

美国国家科学基金会; 英国工程与自然科学研究理事会;

关键词：

computer simulations; direct methods; X-ray scattering; diffraction and reflection; surface relaxation and reconstruction; TiO2-x(100)-1x3; titanium oxide; low index single crystal surfaces;

D O I：

10.1016/S0039-6028(98)00255-6

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：

An improved atomic model of the TiO2-x(100)-1 x 3 surface has been determined based on grazing incidence X-ray diffraction (GIXD) data analyzed by direct methods coupled with chi(2) minimization. The structure contains edge- and face-sharing octahedra, similar to known defect structures in TinO2n-1. The final structure consists of four Ti atoms and six to eight oxygen. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：300 / 309

页数：10

共 32 条

[1] A MULTISOLUTION METHOD OF PHASE DETERMINATION BY COMBINED MAXIMIZATION OF ENTROPY AND LIKELIHOOD .1. THEORY, ALGORITHMS AND STRATEGY [J].

BRICOGNE, G ;

GILMORE, CJ .

ACTA CRYSTALLOGRAPHICA SECTION A, 1990, 46 :284-297

[2] LOW-ENERGY ELECTRON-DIFFRACTION AND ELECTRON-SPECTROSCOPY STUDIES OF CLEAN (110) AND (100) TITANIUM-DIOXIDE (RUTILE) CRYSTAL-SURFACES [J].

CHUNG, YW ;

LO, WJ ;

SOMORJAI, GA .

SURFACE SCIENCE, 1977, 64 (02) :588-602

[3] Determination and refinement of the Ag/Si(111)-(3x1) surface structure [J].

Collazo-Davila, C ;

Grozea, D ;

Marks, LD .

PHYSICAL REVIEW LETTERS, 1998, 80 (08) :1678-1681

[4] Atomic structure of the in on Si(111)(4x1) surface [J].

CollazoDavila, C ;

Marks, LD ;

Nishii, K ;

Tanishiro, Y .

SURFACE REVIEW AND LETTERS, 1997, 4 (01) :65-70

[5] ELECTROCHEMICAL PHOTOLYSIS OF WATER AT A SEMICONDUCTOR ELECTRODE [J].

FUJISHIMA, A ;

HONDA, K .

NATURE, 1972, 238 (5358) :37-+

[6] Direct solutions of the Si(111) 7x7 structure [J].

Gilmore, CJ ;

Marks, LD ;

Grozea, D ;

Collazo, C ;

Landree, E ;

Twesten, RD .

SURFACE SCIENCE, 1997, 381 (2-3) :77-91

[7]

Gilmour C.J., 1994, T AM CRYSTALLOGR ASS, V30, P15

[8]

Goldberg DE, 1989, GENETIC ALGORITHMS S

[9] SMOOTH GENETIC ALGORITHM [J].

GUTOWSKI, MW .

JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1994, 27 (23) :7893-7904

[10] CHEMISORBED PHASES OF H2O ON TIO2 AND SRTIO3 [J].

HENRICH, VE ;

DRESSELHAUS, G ;

ZEIGER, HJ .

SOLID STATE COMMUNICATIONS, 1977, 24 (09) :623-626

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