Ultrathin Ti-Silicate Film on a Ru(0001) Surface

Frank Daniel Fischer; Joachim Sauer; Xin Yu; Jorge Anibal Boscoboinik; Shamil Shaikhutdinov; Hans Joachim Freund

doi:10.1021/acs.jpcc.5b04291

Ultrathin Ti-Silicate Film on a Ru(0001) Surface

Frank Daniel Fischer
, Joachim Sauer
, Xin Yu
, Jorge Anibal Boscoboinik
, Shamil Shaikhutdinov
, Hans Joachim Freund

Materials Science and Engineering

Humboldt University of Berlin
Fritz Haber Institute of the Max Planck Society

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

20 Scopus citations

Abstract

Ultrathin Ti-silicate films were prepared on a Ru(0001) surface. Low-energy electron diffraction, scanning tunneling microscopy, and infrared reflection-absorption spectroscopy results support a structural model for the atomic structure of the films that is proposed using density functional theory calculations of films with varying Ti/Si ratios. The film segregates into a pure silicate and a Ti-silicate phase. According to the calculations, a uniform distribution of Ti in the silicate bilayer framework is energetically unfavorable. In the proposed structure, the Ti-silicate film with a Ti/Si 1:1 ratio consists of a monolayer of corner-sharing [SiO₄] tetrahedra on top of a monolayer formed by [TiO₆] octahedra. Ti-O-Ru bonds connect the film to the Ru substrate. Similar structures are known for both naturally occurring phyllosilicates and a recently reported Fe-silicate film.

Original language	English
Pages (from-to)	15443-15448
Number of pages	6
Journal	Journal of Physical Chemistry C
Volume	119
Issue number	27
DOIs	https://doi.org/10.1021/acs.jpcc.5b04291
State	Published - Jul 9 2015

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title = "Ultrathin Ti-Silicate Film on a Ru(0001) Surface",

abstract = "Ultrathin Ti-silicate films were prepared on a Ru(0001) surface. Low-energy electron diffraction, scanning tunneling microscopy, and infrared reflection-absorption spectroscopy results support a structural model for the atomic structure of the films that is proposed using density functional theory calculations of films with varying Ti/Si ratios. The film segregates into a pure silicate and a Ti-silicate phase. According to the calculations, a uniform distribution of Ti in the silicate bilayer framework is energetically unfavorable. In the proposed structure, the Ti-silicate film with a Ti/Si 1:1 ratio consists of a monolayer of corner-sharing [SiO4] tetrahedra on top of a monolayer formed by [TiO6] octahedra. Ti-O-Ru bonds connect the film to the Ru substrate. Similar structures are known for both naturally occurring phyllosilicates and a recently reported Fe-silicate film.",

author = "Fischer, \{Frank Daniel\} and Joachim Sauer and Xin Yu and Boscoboinik, \{Jorge Anibal\} and Shamil Shaikhutdinov and Freund, \{Hans Joachim\}",

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doi = "10.1021/acs.jpcc.5b04291",

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T1 - Ultrathin Ti-Silicate Film on a Ru(0001) Surface

AU - Fischer, Frank Daniel

AU - Sauer, Joachim

AU - Yu, Xin

AU - Boscoboinik, Jorge Anibal

AU - Shaikhutdinov, Shamil

AU - Freund, Hans Joachim

PY - 2015/7/9

Y1 - 2015/7/9

N2 - Ultrathin Ti-silicate films were prepared on a Ru(0001) surface. Low-energy electron diffraction, scanning tunneling microscopy, and infrared reflection-absorption spectroscopy results support a structural model for the atomic structure of the films that is proposed using density functional theory calculations of films with varying Ti/Si ratios. The film segregates into a pure silicate and a Ti-silicate phase. According to the calculations, a uniform distribution of Ti in the silicate bilayer framework is energetically unfavorable. In the proposed structure, the Ti-silicate film with a Ti/Si 1:1 ratio consists of a monolayer of corner-sharing [SiO4] tetrahedra on top of a monolayer formed by [TiO6] octahedra. Ti-O-Ru bonds connect the film to the Ru substrate. Similar structures are known for both naturally occurring phyllosilicates and a recently reported Fe-silicate film.

AB - Ultrathin Ti-silicate films were prepared on a Ru(0001) surface. Low-energy electron diffraction, scanning tunneling microscopy, and infrared reflection-absorption spectroscopy results support a structural model for the atomic structure of the films that is proposed using density functional theory calculations of films with varying Ti/Si ratios. The film segregates into a pure silicate and a Ti-silicate phase. According to the calculations, a uniform distribution of Ti in the silicate bilayer framework is energetically unfavorable. In the proposed structure, the Ti-silicate film with a Ti/Si 1:1 ratio consists of a monolayer of corner-sharing [SiO4] tetrahedra on top of a monolayer formed by [TiO6] octahedra. Ti-O-Ru bonds connect the film to the Ru substrate. Similar structures are known for both naturally occurring phyllosilicates and a recently reported Fe-silicate film.

UR - https://www.scopus.com/pages/publications/84936865732

U2 - 10.1021/acs.jpcc.5b04291

DO - 10.1021/acs.jpcc.5b04291

M3 - Article

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SP - 15443

EP - 15448

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 27

ER -

Ultrathin Ti-Silicate Film on a Ru(0001) Surface

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