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- Zhao, Huali, et al. Show all 4 Authors
- Journal of physical chemistry 2018 v.122 no.1 pp. 574-583
- dissociation; hydrogen; isotopes; nickel; physical chemistry; prototypes; temperature
- ... Hydrogen molecule dissociation on metal surfaces is a prototype reaction to study the gas–surface interaction. The dissociation rate constants of H₂ on H atom precovered Ni(111) surfaces are calculated using the quantum instanton method in full dimensionality. Four different arrangements of the preadsorbed H and the dissociated H₂, in which the preadsorbed H is located at the nearest (H₂/H¹–Ni(111 ...