TU Darmstadt / ULB / TUbiblio

Disordered reconstructions of the reduced SnO2-(110) surface

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

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.

Item Type: Article
Erschienen: 2011
Creators: Agoston, Peter and Albe, Karsten
Title: Disordered reconstructions of the reduced SnO2-(110) surface
Language: English
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.

Journal or Publication Title: Surf. Sci.
Volume: 605
Number: 7-8
Publisher: Elsevier Science Publishing Company
Uncontrolled Keywords: 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
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > C - Modelling > Subproject C2: Atomistic computer simulations of defects and their mobility in metal oxides
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > C - Modelling
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue
Zentrale Einrichtungen
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres
DFG-Collaborative Research Centres (incl. Transregio)
Date Deposited: 12 Apr 2014 15:21
Official URL: http://www.sciencedirect.com/science/article/pii/S0039602811...
Additional Information:

SFB 595 C2

Identification Number: doi:10.1016/j.susc.2011.01.007
Funders: 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).
Export:

Optionen (nur für Redakteure)

View Item View Item