Reaction mechanisms of H(D) → D(H) + Pt(111) interaction system: Quasiclassical molecular dynamics simulations
Reaction mechanisms of the H(or D) → D(or H) + Pt(111) interaction system have been proposed by using quasiclassical molecular dynamics simulations. First, the adsorbate atoms are dispersed randomly over the surface’s adsorption sites to form 0.18 ML, 0.25 ML, and 0.50 ML of coverages. Since the sur...
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2021-04-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0046851 |