Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/146521
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dc.contributor.authorLiang, Tianxiaoen_US
dc.contributor.authorZhang, Zihanen_US
dc.contributor.authorFeng, Xiaoleien_US
dc.contributor.authorJia, Haojunen_US
dc.contributor.authorPickard, Chris J.en_US
dc.contributor.authorRedfern, Simon Anthony Turneren_US
dc.contributor.authorDuan, Defangen_US
dc.date.accessioned2021-02-23T06:14:38Z-
dc.date.available2021-02-23T06:14:38Z-
dc.date.issued2020-
dc.identifier.citationLiang, T., Zhang, Z., Feng, X., Jia, H., Pickard, C. J., Redfern, S. A. T., & Duan, D. (2020). Ternary hypervalent silicon hydrides via lithium at high pressure. Physical Review Materials, 4(11), 113607-. doi:10.1103/physrevmaterials.4.113607en_US
dc.identifier.issn2475-9953en_US
dc.identifier.urihttps://hdl.handle.net/10356/146521-
dc.description.abstractHydrogen is rarely observed as a ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilize hypervalent hydrogen-rich materials. Focusing 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 different hypervalent anions: layered SiH5− and tricapped triangular prismatic SiH62−. These differ from octahedral SiH62− described in earlier studies. In addition, there are further hydrogen-rich structures, Li3SiH10 and Li2SiH6+δ, which may be stabilized at high pressure. Our work provides pointers to future investigations on hydrogen-rich materials.en_US
dc.language.isoenen_US
dc.relation.ispartofPhysical Review Materialsen_US
dc.rights© 2020 American Physical Society (APS). All rights reserved. This paper was published in Physical Review Materials and is made available with permission of American Physical Society (APS).en_US
dc.subjectScience::Physicsen_US
dc.titleTernary hypervalent silicon hydrides via lithium at high pressureen_US
dc.typeJournal Articleen
dc.contributor.schoolAsian School of the Environmenten_US
dc.identifier.doi10.1103/PhysRevMaterials.4.113607-
dc.description.versionPublished versionen_US
dc.identifier.scopus2-s2.0-85097151334-
dc.identifier.issue11en_US
dc.identifier.volume4en_US
dc.subject.keywordsChargeen_US
dc.subject.keywordsDensity of Statesen_US
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