Hot atom chemistry: oxygen at stepped platinum surfaces
Keyword(s):
It is a paradigm in chemistry that chemical reaction are mainly governed by thermodynamics. Within this assumption, reaction rates can be derived from transition state theory which requires a quasi-equilibrium between reactants and activated transition state complexes that is achieved through friction. However, to reach thermal equilibrium through friction takes some time. Here we show, based on ab initio molecular dynamics simulations of the interaction of molecular oxygen with stepped Pt surfaces, that chemical reactions in heterogeneous catalysis can occur in a non-equilibrium fashion when the excess kinetic energy upon entering the potential well of a reaction intermediate is large enough.
1985 ◽
Vol 89
(11)
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pp. 2204-2208
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2002 ◽
Vol 106
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pp. 4957-4960
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1994 ◽
Vol 223
(5-6)
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pp. 459-464
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2016 ◽
Vol 38
(3)
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pp. 178-188
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1986 ◽
Vol 84
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pp. 6712-6718
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1992 ◽
Vol 66
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pp. 975-990
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2017 ◽
Vol 94
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pp. 1238-1246
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Keyword(s):
2007 ◽
Vol 599
(2)
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pp. 376
1985 ◽
Vol 82
(12)
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pp. 5499-5505
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