Ab Initio Molecular Dynamics Studies of Conjugated Dienes on Semiconductor Surfaces

Mark Tuckerman, Yanli Zhang

Research output: Chapter in Book/Report/Conference proceedingChapter

Original languageEnglish (US)
Title of host publicationFunctionalization of Semiconductor Surfaces
PublisherJohn Wiley and Sons
Pages233-276
Number of pages44
ISBN (Print)9780470562949
DOIs
StatePublished - Mar 20 2012

Fingerprint

Molecular dynamics
Semiconductor materials

Keywords

  • AIMD, electronic rearrangements in reaction mechanism
  • Buckling and Si-Si bond polarization
  • Conjugated dienes on semiconductor, surface thermal motion
  • NEGF formalism, in computing STM images
  • Surface chemistry control, and ordered nanostructures

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Tuckerman, M., & Zhang, Y. (2012). Ab Initio Molecular Dynamics Studies of Conjugated Dienes on Semiconductor Surfaces. In Functionalization of Semiconductor Surfaces (pp. 233-276). John Wiley and Sons. https://doi.org/10.1002/9781118199770.ch9

Ab Initio Molecular Dynamics Studies of Conjugated Dienes on Semiconductor Surfaces. / Tuckerman, Mark; Zhang, Yanli.

Functionalization of Semiconductor Surfaces. John Wiley and Sons, 2012. p. 233-276.

Research output: Chapter in Book/Report/Conference proceedingChapter

Tuckerman, M & Zhang, Y 2012, Ab Initio Molecular Dynamics Studies of Conjugated Dienes on Semiconductor Surfaces. in Functionalization of Semiconductor Surfaces. John Wiley and Sons, pp. 233-276. https://doi.org/10.1002/9781118199770.ch9
Tuckerman M, Zhang Y. Ab Initio Molecular Dynamics Studies of Conjugated Dienes on Semiconductor Surfaces. In Functionalization of Semiconductor Surfaces. John Wiley and Sons. 2012. p. 233-276 https://doi.org/10.1002/9781118199770.ch9
Tuckerman, Mark ; Zhang, Yanli. / Ab Initio Molecular Dynamics Studies of Conjugated Dienes on Semiconductor Surfaces. Functionalization of Semiconductor Surfaces. John Wiley and Sons, 2012. pp. 233-276
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