| 1. |
- Kaya, S., et al.
(author)
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On the geometrical and electronic structure of an ultra-thin crystalline silica film grown on Mo(112)
- 2007
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In: Surface Science. - : Elsevier BV. - 0039-6028 .- 1879-2758. ; 601:21, s. 4849-4861
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Journal article (peer-reviewed)abstract
- The atomic structure of a well-ordered silica film grown on a Mo(112) single crystal substrate is discussed in detail using the experimental and theoretical results available to date. New photoelectron spectroscopy results using synchrotron radiation and ultraviolet spectroscopy data are presented. The analysis unambiguously shows that the ultra-thin silica film consists of a two-dimensional network of corner-sharing [SiO4] tetrahedra chemisorbed on the unreconstructed Mo(112) surface. The review also highlights the important role of theoretical calculations in the determination of the atomic structure of the silica films and in interpretation of experimental data.
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| 2. |
- Andreasson, Björn Pererik, 1979-, et al.
(author)
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Detecting oxygen vacancies in SrTiO3 by 3d transition-metal tracer ions
- 2009
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In: Physical Review B. Condensed Matter and Materials Physics. - College Park, MD : American Physical Society. - 1098-0121 .- 1550-235X. ; 80:21, s. Article number: 212103-
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Journal article (peer-reviewed)abstract
- X-ray absorption experiments on 3d transition-metal tracer ions in SrTiO3 are presented. The absorption spectra of the tracer-ion changed upon reduction in the SrTiO3. This change is due to an oxygen vacancy created at the tracer-ion site. This finding is supported by density-functional theory calculations, which prove that the oxygen vacancies preferentially are created at the tracer-ion sites. Using the chemical sensitivity of x-ray absorption spectroscopy, tracer ions can be used to detect oxygen vacancies in SrTiO3 and possibly in other oxide systems. © 2009 The American Physical Society.
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| 3. |
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| 4. |
- Kaya, S., et al.
(author)
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Formation of one-dimensional molybdenum oxide on Mo(112)
- 2008
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In: Surface Science. - : Elsevier BV. - 0039-6028 .- 1879-2758. ; 602:21, s. 3338-3342
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Journal article (peer-reviewed)abstract
- The atomic structure of a reconstructed Mo(112)-O(2 x 3) surface has been revisited using photoelectron spectroscopy with synchrotron radiation, scanning tunneling microscopy, infrared reflection absorption spectroscopy and density functional theory. In contrast to previous models, the results are rationalized in terms of the formation of one-dimensional, Mo=O terminated molybdenum oxide involving corner sharing distorted [MoO(6)] octahedra on the (1 x 3) reconstructed Mo(112) surface.
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| 5. |
- Lu, J. -L, et al.
(author)
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Formation of one-dimensional crystalline silica on a metal substrate
- 2006
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In: Surface Science. - : Elsevier BV. - 0039-6028 .- 1879-2758. ; 600:13, s. L164-L168
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Journal article (peer-reviewed)abstract
- We have observed formation of one-dimensional silica structures of 0.5 nm in width on Mo(112) single crystal surface. Combination of high-resolution scanning tunneling microscopy, photoelectron and infrared spectroscopy, and density functional theory provides strong evidence for formation of paired rows of corner sharing [SiO4] tetrahedra chemisorbed on a metal substrate.
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| 6. |
- Sierka, M., et al.
(author)
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Interplay between theory and experiment in the quest for silica with reduced dimensionality grown on a Mo(112) surface
- 2006
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In: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 424:1-3, s. 115-119
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Journal article (peer-reviewed)abstract
- The stability of ordered one- and two-dimensional silica structures formed on a Mo(112) surface as a function of silicon coverage and oxygen pressure (phase diagram) is derived from density functional theory. At elevated oxygen pressures formation of a new, previously not considered structure of two-dimensional silica film is predicted. It contains additional oxygen atoms adsorbed directly on the Mo(112) surface underneath a two-dimensional network of corner sharing [SiO4] tetrahedra. The existence of the new phase is confirmed experimentally using infrared reflection absorption spectroscopy and X-ray photoelectron spectroscopy.
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| 7. |
- Todorova, T. K., et al.
(author)
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Atomic structure of a thin silica film on a Mo(112) substrate : A combined experimental and theoretical study (vol 73, pg 165414, 2006)
- 2006
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In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 73:16
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Journal article (peer-reviewed)abstract
- The atomic structure of the thin SiO2 film on a Mo(112) substrate has been determined based on a combination of density functional theory calculations and high-quality experimental data obtained from scanning tunneling microscopy, infrared reflection absorption spectroscopy, and x-ray photoelectron spectroscopy. The film consists of a honeycomblike, two-dimensional network of corner-sharing [SiO4] tetrahedra. One oxygen atom of each tetrahedron binds to the Mo(112) substrate and is located in a bridge position between Mo atoms located in rows protruding from the metal surface. The other three oxygen atoms form Si-O-Si bonds with the neighboring tetrahedra.
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| 8. |
- Todorova, T K, et al.
(author)
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Atomic structure of a thin silica film on a Mo(112) substrate : A combined experimental and theoretical study
- 2006
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 73:16, s. 165414-
-
Journal article (peer-reviewed)abstract
- The atomic structure of the thin SiO2 film on a Mo(112) substrate has been determined based on a combination of density functional theory calculations and high-quality experimental data obtained from scanning tunneling microscopy, infrared reflection absorption spectroscopy, and x-ray photoelectron spectroscopy. The film consists of a honeycomblike, two-dimensional network of corner-sharing [SiO4] tetrahedra. One oxygen atom of each tetrahedron binds to the Mo(112) substrate and is located in a bridge position between Mo atoms located in rows protruding from the metal surface. The other three oxygen atoms form Si-O-Si bonds with the neighboring tetrahedra.
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| 9. |
- Weissenrieder, Jonas, et al.
(author)
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Atomic structure of a thin silica film on a Mo(112) substrate : A two-dimensional network of SiO4 tetrahedra
- 2005
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In: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 95:7, s. 1-4
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Journal article (peer-reviewed)abstract
- The structure of a thin single crystalline SiO2 film grown on Mo(112) has been studied by scanning tunneling microscopy, infrared reflection absorption spectroscopy, and x-ray photoelectron spectroscopy. In excellent agreement with the experimental results, density functional theory calculations show that the film consists of a two-dimensional network of corner sharing [SiO4] tetrahedra, with one oxygen of each tetrahedron binding to the protruding Mo atoms of the Mo(112) surface.
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