Structure of the TiO2 - Cursive chi(100)-1 × 3 surface by direct methods

E. Landree; L. D. Marks; P. Zschack; C. J. Gilmore

doi:10.1016/S0039-6028(98)00255-6

Structure of the TiO_{2 - Cursive chi}(100)-1 × 3 surface by direct methods

E. Landree^*, L. D. Marks, P. Zschack, C. J. Gilmore

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

35 Scopus citations

Abstract

An improved atomic model of the TiO_{2 - cursive chi}(100)-1 × 3 surface has been determined based on grazing incidence X-ray diffraction (GIXD) data analyzed by direct methods coupled with χ² minimization. The structure contains edge- and face-sharing octahedra, similar to known defect structures in Ti_nO_{2n - 1}. The final structure consists of four Ti atoms and six to eight oxygen.

Original language	English (US)
Pages (from-to)	300-309
Number of pages	10
Journal	Surface Science
Volume	408
Issue number	1-3
DOIs	https://doi.org/10.1016/S0039-6028(98)00255-6
State	Published - Jun 15 1998

Funding

We would like to acknowledge the support of the National Science Foundation via Grant #DMR-9214505 in funding this work. CJG wishes to acknowledge support from the EPSRC.

Keywords

Computer simulations
Direct methods
Low index single crystal surfaces
Surface relaxation and reconstruction
Tio(100)-1 × 3
Titanium oxide
X-ray scattering, diffraction and reflection

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

Access to Document

10.1016/S0039-6028(98)00255-6

Cite this

@article{bf37ad0660c64facb6be7f3ecb912821,

title = "Structure of the TiO2 - Cursive chi(100)-1 × 3 surface by direct methods",

abstract = "An improved atomic model of the TiO2 - cursive chi(100)-1 × 3 surface has been determined based on grazing incidence X-ray diffraction (GIXD) data analyzed by direct methods coupled with χ2 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.",

keywords = "Computer simulations, Direct methods, Low index single crystal surfaces, Surface relaxation and reconstruction, Tio(100)-1 × 3, Titanium oxide, X-ray scattering, diffraction and reflection",

author = "E. Landree and Marks, {L. D.} and P. Zschack and Gilmore, {C. J.}",

note = "Funding Information: We would like to acknowledge the support of the National Science Foundation via Grant #DMR-9214505 in funding this work. CJG wishes to acknowledge support from the EPSRC.",

year = "1998",

month = jun,

day = "15",

doi = "10.1016/S0039-6028(98)00255-6",

language = "English (US)",

volume = "408",

pages = "300--309",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier B.V.",

number = "1-3",

}

TY - JOUR

T1 - Structure of the TiO2 - Cursive chi(100)-1 × 3 surface by direct methods

AU - Landree, E.

AU - Marks, L. D.

AU - Zschack, P.

AU - Gilmore, C. J.

N1 - Funding Information: We would like to acknowledge the support of the National Science Foundation via Grant #DMR-9214505 in funding this work. CJG wishes to acknowledge support from the EPSRC.

PY - 1998/6/15

Y1 - 1998/6/15

N2 - An improved atomic model of the TiO2 - cursive chi(100)-1 × 3 surface has been determined based on grazing incidence X-ray diffraction (GIXD) data analyzed by direct methods coupled with χ2 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.

AB - An improved atomic model of the TiO2 - cursive chi(100)-1 × 3 surface has been determined based on grazing incidence X-ray diffraction (GIXD) data analyzed by direct methods coupled with χ2 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.

KW - Computer simulations

KW - Direct methods

KW - Low index single crystal surfaces

KW - Surface relaxation and reconstruction

KW - Tio(100)-1 × 3

KW - Titanium oxide

KW - X-ray scattering, diffraction and reflection

UR - http://www.scopus.com/inward/record.url?scp=0032098551&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0032098551&partnerID=8YFLogxK

U2 - 10.1016/S0039-6028(98)00255-6

DO - 10.1016/S0039-6028(98)00255-6

M3 - Article

AN - SCOPUS:0032098551

SN - 0039-6028

VL - 408

SP - 300

EP - 309

JO - Surface Science

JF - Surface Science

IS - 1-3

ER -