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Role of lateral interactions in adsorption kinetics: CO/Rh{100}
journal contribution
posted on 2023-06-08, 17:19 authored by Rickmer Kose, Wendy BrownWendy Brown, David A KingThe coverage-dependent heats of adsorption and sticking probabilities for CO on Rh{100} were measured. The initial heat is 118 +/- 4 kJ mol(-1), with an initial sticking probability of similar to 0.87; the saturation coverage is similar to 0.8 monolayer: By means of a Kisliuk fit to the sticking probability data, the transition between the two main adsorbate phases (c(2 x 2) structure at 0.5 monolayer and p(4 root 2x root 2)R45 degrees structure at 0.75 monolayer) could be detected, allowing the determination of two independent Kisliuk parameters for the first (K = 0.3) and second (K = 1) regime; The differential heat data was successfully reproduced by means of a Monte Carlo simulation. A discrete CO-CO interaction potential was implemented and optimized, giving CO-CO interaction energies of E-nn = 9 +/- 1 kJ mol(-1) (nearest neighbor), E-nnn = 1 +/- 0.5 kJ mol(-1) (next-nearest neighbor) and E-nnnn = -1 +/- 0.5 kJ mol(-1) (next-next-nearest neighbor). These energies agree well with the experimentally determined vm and nnn interaction energies and with a calculated CO-CO interaction potential (DFT) for CO on Pt{111}.
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Publication status
- Published
Journal
Journal of Physical Chemistry BISSN
1520-6106Publisher
American Chemical SocietyExternal DOI
Issue
41Volume
103Page range
8722 - 8725Department affiliated with
- Chemistry Publications
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- No
Peer reviewed?
- Yes
Legacy Posted Date
2014-07-22Usage metrics
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