Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations

  1. Florian Janetzko1,
  2. Thomas Bredow1,*,
  3. Gerald Geudtner2,
  4. Andreas M. Köster2

Article first published online: 13 MAY 2008

DOI: 10.1002/jcc.20997

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Special Issue: Computational Solid State Chemistry

Volume 29, Issue 13, pages 2295–2301, October 2008

Additional Information

How to Cite

Janetzko, F., Bredow, T., Geudtner, G. and Köster, A. M. (2008), Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations. J. Comput. Chem., 29: 2295–2301. doi: 10.1002/jcc.20997

Author Information

  1. 1

    Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstraße 12, 53115 Bonn, Germany

  2. 2

    Departamento de Química, CINVESTAV, Avenida Instituto Politécnico Nacional 2508 A.P. 14-740 México D.F. 07000, México

*Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstraße 12, 53115 Bonn, Germany

Publication History

  1. Issue published online: 28 JUL 2008
  2. Article first published online: 13 MAY 2008
  3. Manuscript Accepted: 7 MAR 2008
  4. Manuscript Received: 5 FEB 2008

Funded by

  • Deutsche Forschungsgemeinschaft (DFG)
  • CONACyT. Grant Numbers: 40379-F, 60117-U

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