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Disordered reconstructions of the reduced SnO2-(110) surface

Agoston, Peter ; Albe, Karsten :
Disordered reconstructions of the reduced SnO2-(110) surface.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0039602811...]
In: Surf. Sci., 605 (7-8) pp. 714-722.
[Artikel], (2011)
Note:

SFB 595 C2

Offizielle URL: http://www.sciencedirect.com/science/article/pii/S0039602811...

Kurzbeschreibung (Abstract)

A detailed survey of reduced SnO2-(110) surfaces is presented including novel and disordered reconstructions with cation surface interstitials as essential building block. Our results consistently explain the experimentally observed (1 x 1) and (1 2) reconstructions. A revised surface phase diagram containing all observed equilibrium reconstructions is proposed. (C) 2011 Elsevier B.V. All rights reserved.

Typ des Eintrags: Artikel
Erschienen: 2011
Autor(en): Agoston, Peter ; Albe, Karsten
Titel: Disordered reconstructions of the reduced SnO2-(110) surface
Sprache: Englisch
Kurzbeschreibung (Abstract):

A detailed survey of reduced SnO2-(110) surfaces is presented including novel and disordered reconstructions with cation surface interstitials as essential building block. Our results consistently explain the experimentally observed (1 x 1) and (1 2) reconstructions. A revised surface phase diagram containing all observed equilibrium reconstructions is proposed. (C) 2011 Elsevier B.V. All rights reserved.

Titel der Zeitschrift, Zeitung oder Schriftenreihe: Surf. Sci.
Band: 605
(Heft-)Nummer: 7-8
Verlag: Elsevier Science Publishing Company
Freie Schlagworte: Ab initio quantum chemical methods and calculations, Density functional calculations, Oxidation, Surface thermodynamics (including phase transitions), Tin oxides, Low index single crystal surfaces, Surface defects
Fachbereich(e)/-gebiet(e): Fachbereich Material- und Geowissenschaften
Fachbereich Material- und Geowissenschaften > Materialwissenschaften
Fachbereich Material- und Geowissenschaften > Materialwissenschaften > Materialmodellierung
Zentrale Einrichtungen > Sonderforschungsbereich 595 > C - Modellierung > C2
Zentrale Einrichtungen > Sonderforschungsbereich 595 > C - Modellierung
Zentrale Einrichtungen > Sonderforschungsbereich 595
Zentrale Einrichtungen
Hinterlegungsdatum: 12 Apr 2014 15:21
Offizielle URL: http://www.sciencedirect.com/science/article/pii/S0039602811...
Zusätzliche Informationen:

SFB 595 C2

ID-Nummer: 10.1016/j.susc.2011.01.007
Sponsoren: We acknowledge the financial support through the Sonderforschungsbereich 595 of the Deutsche Forschungsgemeinschaft., Furthermore, this work was made possible by grants for computing time on the HHLR Darmstadt as well as FZ Jülich., We also acknowledge financial support through a bilateral travel program funded by the German foreign exchange service (DAAD).
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