Diffusion mechanisms of n-butane on Pt(111) and Cu(001)

Unique molecular features

Janhavi S. Raut, Kristen Ann Fichthorn

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

We have used transition-state theory to estimate diffusion-energy barriers and to determine the characteristic mechanisms by which n-butane diffuses on model Pt(111) and Cu(001) surfaces. Our studies reveal some of the unique features associated with molecular mobility, including one-jump mechanisms for molecular hopping between non-nearest-neighbor binding sites; conformational correlation in molecular hopping; short-ranged, directional anisotropy in diffusion induced by the molecular degrees of freedom; and the role of multiple-binding sites in various hopping mechanisms. We discuss some experimental ramifications of these unique features.

Original languageEnglish (US)
Pages (from-to)1542-1547
Number of pages6
JournalJournal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Volume15
Issue number3
DOIs
StatePublished - Dec 1 1997

Fingerprint

Butane
Binding sites
butanes
Binding Sites
Energy barriers
Anisotropy
degrees of freedom
anisotropy
estimates
butane
energy

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

Cite this

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Diffusion mechanisms of n-butane on Pt(111) and Cu(001) : Unique molecular features. / Raut, Janhavi S.; Fichthorn, Kristen Ann.

In: Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, Vol. 15, No. 3, 01.12.1997, p. 1542-1547.

Research output: Contribution to journalArticle

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AB - We have used transition-state theory to estimate diffusion-energy barriers and to determine the characteristic mechanisms by which n-butane diffuses on model Pt(111) and Cu(001) surfaces. Our studies reveal some of the unique features associated with molecular mobility, including one-jump mechanisms for molecular hopping between non-nearest-neighbor binding sites; conformational correlation in molecular hopping; short-ranged, directional anisotropy in diffusion induced by the molecular degrees of freedom; and the role of multiple-binding sites in various hopping mechanisms. We discuss some experimental ramifications of these unique features.

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