Chemical stability of hydrogen boride nanosheets in water

Hydrogen boride sheet is a recently fabricated boron-based two-dimensional nanosheet. For the interest of using it in electronic and catalytic applications, it is important that it has sufficient chemical stability for common substances. In this case, we investigate its chemical stability in water, a common substance in ambient condition and many applications. The study was done using experimental and first-principles method. This record contains the crystal structures, optimized via first-principles calculations that were used in discussing the various properties and interaction between water and hydrogen boride sheet. Additionally, input files used to calculate for the systems were included to aid in reproducing results of the study.

Identifier
Source https://archive.materialscloud.org/record/2021.87
Metadata Access https://archive.materialscloud.org/xml?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:893
Provenance
Creator Rojas, Kurt Irvin; Cuong, Nguyen Thanh; Nishino, Hiroaki; Ishibiki, Ryota; Ito, Shin-ichi; Miyauchi, Masahiro; Fujimoto, Yoshitaka; Tominaka, Satoshi; Okada, Susumu; Hosono, Hideo; Arboleda, Nelson Jr.,; Kondo, Takahiro; Morikawa, Yoshitada; Hamada, Ikutaro
Publisher Materials Cloud
Publication Year 2021
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type Dataset
Discipline Materials Science and Engineering