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• W2023672486 abstract "We present results of classical trajectory calculations on dissociative adsorption and reflection of H2 impinging on a frozen Pd(110) surface. The six-dimensional potential energy surface is obtained by interpolation of density functional theory (DFT) calculations using the corrugation reducing procedure. The comparison with earlier work for H2/Pd(111) shows that DFT calculations predict that the Pd(110) surface, though more open, is less reactive than the Pd(111) one. This lower reactivity is associated with a more prominent role of dynamic trapping, at low energies, and with the fact that trapping may end up in reflection as well as in dissociation." @default.
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• W2023672486 date "2003-06-09" @default.
• W2023672486 modified "2023-10-08" @default.
• W2023672486 title "Role of dynamic trapping in H2 dissociation and reflection on Pd surfaces" @default.
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• W2023672486 doi "https://doi.org/10.1063/1.1575208" @default.
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