Hyperthermal chemistry in the gas phase and on surfaces: Theoretical studies

Diego Troya*, George C. Schatz

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

54 Scopus citations


We review recent theoretical studies aimed at understanding gas/surface and gas-phase collisions at hyperthermal energies. The review is restricted to interactions between neutral species, and particular attention is given to the interactions of hyperthermal ground-state atomic oxygen (O(3P)) with hydrocarbons. Quantum mechanical and molecular dynamics calculations are used to simulate collisions of O(3P) with gas-phase methane, ethane, and propane molecules and with condensed-phase alkanethiolate self-assembled monolayers. The results of such studies are examined in the light of atomic-oxygen degradation of polymeric materials in low Earth orbit (LEO).

Original languageEnglish (US)
Pages (from-to)341-373
Number of pages33
JournalInternational Reviews in Physical Chemistry
Issue number3
StatePublished - Jul 2004

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry


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