Show simple item record

dc.contributor.authorLiang, Ten
dc.contributor.authorZhang, Zen
dc.contributor.authorFeng, Xen
dc.contributor.authorJia, Hen
dc.contributor.authorPickard, Christopheren
dc.contributor.authorRedfern, Simonen
dc.contributor.authorDuan, Den
dc.date.accessioned2020-11-10T00:30:21Z
dc.date.available2020-11-10T00:30:21Z
dc.date.issued2020-11-18en
dc.identifier.issn2475-9953
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/312653
dc.description.abstractHydrogen is rarely observed as ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilise hypervalent hydrogen-rich materials. Focussing on ternary silicon hydrides via lithium doping, we find anions composed of hypervalent silicon with H ligands formed under high pressure. Our results reveal two new hypervalent anions: layered-SiH−5 and tricapped triangular prismatic SiH2−. These differ from octahedral SiH2− described in earlier studies. In addition, there are further hydrogen-rich structures, Li3SiH10 and Li2SiH6+δ, which may be stabilised at high pressure. Our work provides pointers to future investigations on hydrogen rich materials.
dc.rightsAll rights reserved
dc.rights.uri
dc.titleTernary hypervalent silicon hydrides via lithium at high pressureen
dc.typeArticle
prism.issueIdentifier11en
prism.publicationDate2020en
prism.publicationNamePhysical Review Materialsen
prism.volume4en
dc.identifier.doi10.17863/CAM.59751
dcterms.dateAccepted2020-11-04en
rioxxterms.versionofrecord10.1103/PhysRevMaterials.4.113607en
rioxxterms.versionAM
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2020-11-18en
dc.contributor.orcidPickard, Christopher [0000-0002-9684-5432]
dc.contributor.orcidRedfern, Simon [0000-0001-9513-0147]
dc.identifier.eissn2475-9953
rioxxterms.typeJournal Article/Reviewen
pubs.funder-project-idRoyal Society (WM150023)
pubs.funder-project-idEPSRC (EP/P022596/1)
cam.orpheus.successMon Dec 21 07:30:56 GMT 2020 - Embargo updated*
cam.orpheus.counter8*
rioxxterms.freetoread.startdate2020-11-18


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record