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A classical trajectory surface hopping approach to non-adiabatic molecule-surface processes

✍ Scribed by M. Karikorpi; S. Holloway; J.W. Gadzuk

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
664 KB
Volume
39
Category
Article
ISSN
0368-2048

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Desorption of carbon dioxide molecules f
Desorption of carbon dioxide molecules from a Pt(111) surface: A stochastic classical trajectory approach
✍ Daniel W.J. Kwong; N. De Leon; Gary L. Haller 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 675 KB

The generalized Langevin equation (GLE) formalism is used to study the dynamics of CO2 desorption from a Pt( 111) surface. Our trajectory calculations indicate a non-statistical channeling of the CO+0 reaction exothermicity into the various internal energy modes of the desorbed CO2 This conclusion

Comment on “Desorption of carbon dioxide
Comment on “Desorption of carbon dioxide molecules from a Pt(111) surface: A stochastic classical trajectory approach”
✍ Bret Halpern; Moris Kori 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 336 KB

We examine the claim of Kwong, De Leon and Hailer that energy disposal in the P&catalyzed oxidation of CO is non-statistical. We find that their main arguments do not support that claim. As an interpretation of their trajectory study of CO2 desorption, Kwong, De Leon and Haller (KDH) propose a "non