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Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/94669
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dc.titleReaction path for hydrogen adsorption and desorption on Si(100)-(2×1)
dc.contributor.authorTok, E.S.
dc.contributor.authorKang, H.C.
dc.date.accessioned2014-10-16T08:38:44Z
dc.date.available2014-10-16T08:38:44Z
dc.date.issued2001-10-08
dc.identifier.citationTok, E.S., Kang, H.C. (2001-10-08). Reaction path for hydrogen adsorption and desorption on Si(100)-(2×1). Journal of Chemical Physics 115 (14) : 6550-6556. ScholarBank@NUS Repository.
dc.identifier.issn00219606
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/94669
dc.description.abstractThe adsorption and desorption mechanisms for hydrogen on Si were investigated using 1-dimer and 3-dimer cluster model of surfaces. It was found that adsorption/desorption occurs in a two-step process through a metastable dihydridelike intermediate. The effects of cluster size and basis set on the energetics were also investigated. Energetics from 3-dimer calculations were found to be in good agreement with experimental data for both the adsorption and desorption barriers.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1063/1.1402168
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMISTRY
dc.contributor.departmentMATERIALS SCIENCE
dc.description.sourcetitleJournal of Chemical Physics
dc.description.volume115
dc.description.issue14
dc.description.page6550-6556
dc.description.codenJCPSA
dc.identifier.isiut000171475800034
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