Molecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster models
作者： D. F. Tracey , B. Delley , D. R. McKenzie , O. Warschkow
DOI: 10.1063/1.4802837
关键词:
摘要: … Calculated adsorption energies for C 2 H 2 using slab models of varying thickness and in-plane periodic repeat. Points and solid lines indicate directly calculated energies. Dotted lines …
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