BROWSE

Related Scientist

dulce,camacho's photo.

dulce,camacho
다차원탄소재료연구단
more info

ITEM VIEW & DOWNLOAD

Charge Transfer during the Dissociation of H-2 and the Charge State of H Atoms in Liquid Gallium

DC Field Value Language
dc.contributor.authorDulce C. Camacho-Mojica-
dc.contributor.authorBenjamin Cunning-
dc.contributor.authorShahana Chatterjee-
dc.contributor.authorSunghwan Jin-
dc.contributor.authorFeng Ding-
dc.contributor.authorCharlier J.-C.-
dc.contributor.authorRodney S. Ruof-
dc.date.available2020-01-31T00:52:07Z-
dc.date.created2019-11-18-
dc.date.issued2019-11-
dc.identifier.issn1932-7447-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/6768-
dc.description.abstractCopyright © 2019 American Chemical Society.Ab initio calculations have been performed on the liquid gallium-hydrogen system at 100 °C. Gallium was found to interact with both free hydrogen atoms and H2, transferring charge in the process. First-principles computer modeling showed that the dissociation of H2 is a consequence of charge transfer in liquid gallium-hydrogen systems, even at low temperature. Once negatively charged, hydrogen atoms interact with each other and are stabilized by positively charged gallium atoms inducing local atomic arrangements analogous to parts of the digallane molecule.-
dc.description.uri1-
dc.language영어-
dc.publisherAMER CHEMICAL SOC-
dc.titleCharge Transfer during the Dissociation of H-2 and the Charge State of H Atoms in Liquid Gallium-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000495772100004-
dc.identifier.scopusid2-s2.0-85074294505-
dc.identifier.rimsid70504-
dc.contributor.affiliatedAuthorDulce C. Camacho-Mojica-
dc.contributor.affiliatedAuthorBenjamin Cunning-
dc.contributor.affiliatedAuthorShahana Chatterjee-
dc.contributor.affiliatedAuthorSunghwan Jin-
dc.contributor.affiliatedAuthorFeng Ding-
dc.contributor.affiliatedAuthorRodney S. Ruof-
dc.identifier.doi10.1021/acs.jpcc.9b06779-
dc.identifier.bibliographicCitationJOURNAL OF PHYSICAL CHEMISTRY C, v.123, no.44, pp.26769 - 26776-
dc.citation.titleJOURNAL OF PHYSICAL CHEMISTRY C-
dc.citation.volume123-
dc.citation.number44-
dc.citation.startPage26769-
dc.citation.endPage26776-
dc.description.journalClass1-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.subject.keywordPlusTOTAL-ENERGY CALCULATIONS-
dc.subject.keywordPlusCHEMICAL-BINDING-
dc.subject.keywordPlusHYDROGEN-
dc.subject.keywordPlusDISTRIBUTIONS-
dc.subject.keywordPlusGALLANE-
dc.subject.keywordPlusMETALS-
dc.subject.keywordPlusRADII-
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > 1. Journal Papers (저널논문)
Files in This Item:
01acs.jpcc.pdfDownload

qrcode

  • facebook

    twitter

  • Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
해당 아이템을 이메일로 공유하기 원하시면 인증을 거치시기 바랍니다.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse