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- W2387986554 abstract "A model LEPS potential has extended to describe the interaction of gas-phase methane molecule with the (100) face of a nickel crystal, in which CH_4 is approximately considered as a two-body system (CH_3 and H). The po- tential function surface predicts a early barrier with height of 0. 57eV for the activated dissociation of CH_4 on Ni(100). But the dynamical study provides an activation energy of 0. 527eV. The dynamical results show that both transla- tional and vibrational energies can facilitate the dissociative chemisorption of CH_4 on nickel. In addition, the quantum tunneling calculations report that the initial thermal sticking probability ln S(T, V) decreases linearly with the in- crease of 1/T without any turning point. At 500K, S(T, V) is obtained of 5. 4 × 10~(-6) supporting the molecular beam experimental results of Hamza and Madix." @default.
- W2387986554 created "2016-06-24" @default.
- W2387986554 creator A5022103263 @default.
- W2387986554 date "1993-01-01" @default.
- W2387986554 modified "2023-09-23" @default.
- W2387986554 title "THE ACTIVATED CHEMISORPTION OF METHANE ON NICKEL III.DISSOCIATION PROBABILITY OF CH_4 ON Ni(100)SURFACE" @default.
- W2387986554 hasPublicationYear "1993" @default.
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