Two dissociation pathways of water and ammonia on the Si(001) surface
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, Jung-Yup | - |
dc.contributor.author | Cho, Jun-Hyung | - |
dc.date.accessioned | 2022-12-21T10:39:37Z | - |
dc.date.available | 2022-12-21T10:39:37Z | - |
dc.date.created | 2022-08-26 | - |
dc.date.issued | 2006-09 | - |
dc.identifier.issn | 1520-6106 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/181092 | - |
dc.description.abstract | Using first-principles density-functional calculations, we investigated two competing pathways for the dissociation of water and ammonia on a Si(001) surface. For both systems, we found that, in addition to the conventionally accepted intradimer transfer of the H atom, the interdimer transfer of the H atom can be equally probable with the same reaction mechanism. Our analysis shows that the two dissociation pathways occur through the Lewis acid-base reaction between the partially positive H ion and the electron-abundant up atom of the buckled Si dimer. The result of the interdimer H transfer not only supports a recently proposed model for C-defect on Si(001) but also corresponds to the recent scanning tunneling microscopy data of ammonia dissociation on Si(001). | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Two dissociation pathways of water and ammonia on the Si(001) surface | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Cho, Jun-Hyung | - |
dc.identifier.doi | 10.1021/jp063564j | - |
dc.identifier.scopusid | 2-s2.0-33749639481 | - |
dc.identifier.wosid | 000240496500060 | - |
dc.identifier.bibliographicCitation | JOURNAL OF PHYSICAL CHEMISTRY B, v.110, no.37, pp.18455 - 18458 | - |
dc.relation.isPartOf | JOURNAL OF PHYSICAL CHEMISTRY B | - |
dc.citation.title | JOURNAL OF PHYSICAL CHEMISTRY B | - |
dc.citation.volume | 110 | - |
dc.citation.number | 37 | - |
dc.citation.startPage | 18455 | - |
dc.citation.endPage | 18458 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.subject.keywordPlus | SI(100)-2X1 SURFACE | - |
dc.subject.keywordPlus | SELF-CONSISTENT | - |
dc.subject.keywordPlus | PROTON-TRANSFER | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | PSEUDOPOTENTIALS | - |
dc.subject.keywordPlus | DENSITY | - |
dc.subject.keywordPlus | NH3 | - |
dc.subject.keywordPlus | APPROXIMATION | - |
dc.subject.keywordPlus | EXCHANGE | - |
dc.subject.keywordPlus | MODEL | - |
dc.identifier.url | https://pubs.acs.org/doi/10.1021/jp063564j | - |
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