Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs.
hydrides
layered compounds
lithium
transition-metal borides
two-dimensional materials
Journal
Angewandte Chemie (International ed. in English)
ISSN: 1521-3773
Titre abrégé: Angew Chem Int Ed Engl
Pays: Germany
ID NLM: 0370543
Informations de publication
Date de publication:
28 Oct 2019
28 Oct 2019
Historique:
received:
16
06
2019
pubmed:
3
8
2019
medline:
3
8
2019
entrez:
3
8
2019
Statut:
ppublish
Résumé
Two novel lithium nickel boride polymorphs, RT-LiNiB and HT-LiNiB, with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized by a hydride route with LiH as the lithium source. Unique among the known ternary transition-metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers composed of Ni hexagonal rings with a B-B pair at the center. A comprehensive study using a combination of single crystal/synchrotron powder X-ray diffraction, solid-state
Identifiants
pubmed: 31373096
doi: 10.1002/anie.201907499
doi:
Types de publication
Journal Article
Review
Langues
eng
Sous-ensembles de citation
IM
Pagination
15855-15862Subventions
Organisme : Gordon and Betty Moore Foundation
ID : GBMF4411
Organisme : Basic Energy Sciences
ID : DE-AC02-07CH11358
Organisme : Basic Energy Sciences
ID : DE-AC02-06CH11357
Organisme : Iowa State University
Organisme : Supercomputing Center of USTC
Informations de copyright
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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