Epitaxial growth of RuO2(100) on Ru(1010): Surface structure and other properties

Y. D. Kim; S. Schwegmann; A. P. Seitsonen; H. Over

doi:10.1021/jp003650y

Epitaxial growth of RuO₂(100) on Ru(1010): Surface structure and other properties

Y. D. Kim
, S. Schwegmann
, A. P. Seitsonen
, H. Over

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

78 Scopus citations

Abstract

We determined the surface structure of RuO₂(100) formed on Ru(101̄0) by employing the techniques of low-energy electron diffraction (LEED) and density functional theory (DFT) calculations. The RuO₂(100) film grows lattice-matched with its [010] direction along the [0001] direction of Ru(101̄0) (4.5% compressively strained)^while it grows incommensurately with the [001] direction of RuO₂(100) along the [1̄21̄0] direction of Ru(101̄0). The RuO₂(100) surface is terminated by bridging O atoms, which are attached to the coordinatively unsaturated Ru (cus-Ru) atoms with a bond length of 2.01 Å. The other Ru-O bond lengths are in the range of 1.90-2.05 A, typical for bulk RuO₂. Due to the presence of cus-Ru atoms on RuO₂(100), CO molecules adsorb quite strongly as evidenced by a desorption state at 300-400 K. The activity of the RuO₂(100) surface for the CO oxidation reaction is similar to that of RuO₂(110). The surface energies of RuO₂(110) and RuO₂(100) are 71 and 87 meV/Å², respectively.

Original language	English
Pages (from-to)	2205-2211
Number of pages	7
Journal	Journal of Physical Chemistry B
Volume	105
Issue number	11
DOIs	https://doi.org/10.1021/jp003650y
State	Published - 22 Mar 2001
Externally published	Yes

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@article{96a1b6e040634e1daff22f4fa868b054,

title = "Epitaxial growth of RuO2(100) on Ru(1010): Surface structure and other properties",

abstract = "We determined the surface structure of RuO2(100) formed on Ru(10{\=1}0) by employing the techniques of low-energy electron diffraction (LEED) and density functional theory (DFT) calculations. The RuO2(100) film grows lattice-matched with its [010] direction along the [0001] direction of Ru(10{\=1}0) (4.5\% compressively strained)\textasciicircum{}while it grows incommensurately with the [001] direction of RuO2(100) along the [{\=1}2{\=1}0] direction of Ru(10{\=1}0). The RuO2(100) surface is terminated by bridging O atoms, which are attached to the coordinatively unsaturated Ru (cus-Ru) atoms with a bond length of 2.01 {\AA}. The other Ru-O bond lengths are in the range of 1.90-2.05 A, typical for bulk RuO2. Due to the presence of cus-Ru atoms on RuO2(100), CO molecules adsorb quite strongly as evidenced by a desorption state at 300-400 K. The activity of the RuO2(100) surface for the CO oxidation reaction is similar to that of RuO2(110). The surface energies of RuO2(110) and RuO2(100) are 71 and 87 meV/{\AA}2, respectively.",

author = "Kim, \{Y. D.\} and S. Schwegmann and Seitsonen, \{A. P.\} and H. Over",

year = "2001",

month = mar,

day = "22",

doi = "10.1021/jp003650y",

language = "English",

volume = "105",

pages = "2205--2211",

journal = "Journal of Physical Chemistry B",

issn = "1520-6106",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Epitaxial growth of RuO2(100) on Ru(1010)

T2 - Surface structure and other properties

AU - Kim, Y. D.

AU - Schwegmann, S.

AU - Seitsonen, A. P.

AU - Over, H.

PY - 2001/3/22

Y1 - 2001/3/22

N2 - We determined the surface structure of RuO2(100) formed on Ru(101̄0) by employing the techniques of low-energy electron diffraction (LEED) and density functional theory (DFT) calculations. The RuO2(100) film grows lattice-matched with its [010] direction along the [0001] direction of Ru(101̄0) (4.5% compressively strained)^while it grows incommensurately with the [001] direction of RuO2(100) along the [1̄21̄0] direction of Ru(101̄0). The RuO2(100) surface is terminated by bridging O atoms, which are attached to the coordinatively unsaturated Ru (cus-Ru) atoms with a bond length of 2.01 Å. The other Ru-O bond lengths are in the range of 1.90-2.05 A, typical for bulk RuO2. Due to the presence of cus-Ru atoms on RuO2(100), CO molecules adsorb quite strongly as evidenced by a desorption state at 300-400 K. The activity of the RuO2(100) surface for the CO oxidation reaction is similar to that of RuO2(110). The surface energies of RuO2(110) and RuO2(100) are 71 and 87 meV/Å2, respectively.

AB - We determined the surface structure of RuO2(100) formed on Ru(101̄0) by employing the techniques of low-energy electron diffraction (LEED) and density functional theory (DFT) calculations. The RuO2(100) film grows lattice-matched with its [010] direction along the [0001] direction of Ru(101̄0) (4.5% compressively strained)^while it grows incommensurately with the [001] direction of RuO2(100) along the [1̄21̄0] direction of Ru(101̄0). The RuO2(100) surface is terminated by bridging O atoms, which are attached to the coordinatively unsaturated Ru (cus-Ru) atoms with a bond length of 2.01 Å. The other Ru-O bond lengths are in the range of 1.90-2.05 A, typical for bulk RuO2. Due to the presence of cus-Ru atoms on RuO2(100), CO molecules adsorb quite strongly as evidenced by a desorption state at 300-400 K. The activity of the RuO2(100) surface for the CO oxidation reaction is similar to that of RuO2(110). The surface energies of RuO2(110) and RuO2(100) are 71 and 87 meV/Å2, respectively.

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U2 - 10.1021/jp003650y

DO - 10.1021/jp003650y

M3 - Article

AN - SCOPUS:0035932696

SN - 1520-6106

VL - 105

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EP - 2211

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 11

ER -

Epitaxial growth of RuO₂(100) on Ru(1010): Surface structure and other properties

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