Benzene and Pyridine on Silicon (001): A Trial Ground for Long Range Corrections in Density Functional Theory

Publication: Research - peer-reviewJournal article

DOI

  • Oliver Warschkow
    Oliver WarschkowSydney University, Sydney
  • J.M. Bennett
    J.M. BennettSydney University, Sydney
  • J. A. Miwa
  • G. P. Lopinski
    G. P. LopinskiNatl Res Council Canada, National Research Council Canada
  • F. Rosei
    F. RoseiUniv Quebec, University of Quebec, Geotop
  • D. R. McKenzie
    D. R. McKenzieSydney University, Sydney
  • Nigel A. Marks
    Nigel A. MarksCurtin University
Original languageEnglish
JournalThe Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter
Volume121
Issue number19
Pages (from-to)10484-10500
Number of pages17
ISSN1932-7447
DOIs
StatePublished - 18 May 2017

    Keywords

  • GENERALIZED-GRADIENT-APPROXIMATION, SCANNING-TUNNELING-MICROSCOPY, BINDING STATE CONVERSION, ELECTRONIC-STRUCTURE, DISPERSION CORRECTIONS, CORRELATION-ENERGY, SURFACE-CHEMISTRY, SI(100) SURFACE, ADSORPTION, ACCURACY

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ID: 114177180