Chemical bonding and reactivity of transition metal surfaces

Research output: Chapter in Book/Report/Conference proceedingChapterAcademicpeer-review

Abstract

Quantum‐chemistry of chemisorption is discussed based on partial density of states and crystal orbital hamiltion population analyses of the eelectronic structures of chemical bonds. In a second part of the chapter activation of small molecules on transition metals is introduced. Emaphasis is on the analysis of transition states.
LanguageEnglish
Title of host publicationModern heterogeneous catalysis
Subtitle of host publicationan introduction
EditorsRutger A. van Santen
PublisherWiley-VCH Verlag
Chapter7
Pages209-288
Number of pages80
Edition2017
ISBN (Electronic)978-3-527-33961-7
ISBN (Print)978-3-527-33961-7
DOIs
StatePublished - 24 Feb 2017

Fingerprint

Quantum chemistry
Chemical bonds
Chemisorption
Transition metals
Chemical activation
Crystals
Molecules

Keywords

  • chemical bonding
  • COHP
  • COOP
  • DOS
  • transition metals
  • surface
  • top site
  • fcc site
  • hcp site
  • 3d transition metals
  • 4d transition metals
  • 5d transition metals
  • H adsorption
  • C adsorption
  • O adsorption
  • N adsorption
  • CO adsorption
  • Born-Haber cycle
  • work function
  • CHx adsorption
  • NHx adsorption
  • OHx adsorption
  • agostic
  • scaling law

Cite this

van Santen, R., & Tranca, I. (2017). Chemical bonding and reactivity of transition metal surfaces. In R. A. van Santen (Ed.), Modern heterogeneous catalysis: an introduction (2017 ed., pp. 209-288). Wiley-VCH Verlag. DOI: 10.1002/9783527810253.ch7
van Santen, Rutger ; Tranca, Ionut. / Chemical bonding and reactivity of transition metal surfaces. Modern heterogeneous catalysis: an introduction. editor / Rutger A. van Santen. 2017. ed. Wiley-VCH Verlag, 2017. pp. 209-288
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van Santen, R & Tranca, I 2017, Chemical bonding and reactivity of transition metal surfaces. in RA van Santen (ed.), Modern heterogeneous catalysis: an introduction. 2017 edn, Wiley-VCH Verlag, pp. 209-288. DOI: 10.1002/9783527810253.ch7

Chemical bonding and reactivity of transition metal surfaces. / van Santen, Rutger; Tranca, Ionut.

Modern heterogeneous catalysis: an introduction. ed. / Rutger A. van Santen. 2017. ed. Wiley-VCH Verlag, 2017. p. 209-288.

Research output: Chapter in Book/Report/Conference proceedingChapterAcademicpeer-review

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van Santen R, Tranca I. Chemical bonding and reactivity of transition metal surfaces. In van Santen RA, editor, Modern heterogeneous catalysis: an introduction. 2017 ed. Wiley-VCH Verlag. 2017. p. 209-288. Available from, DOI: 10.1002/9783527810253.ch7