Intrinsic defects in amorphous TiO2

DOI

This entry provides the atomic structures of three bulk amorphous TiO2 models generated through the melt-and-quench method with different cooling rates and of ten O-O peroxy linkages obtained by adding two holes to the bulk model constructed with the lowest cooling rate.

Identifier
DOI https://doi.org/10.24435/materialscloud:2019.0028/v1
Related Identifier https://doi.org/10.1039/c8ta02179a
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:6d-a0
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:150
Provenance
Creator Guo, Zhendong; Ambrosio, Francesco; Pasquarello, Alfredo
Publisher Materials Cloud
Contributor Guo, Zhendong; Pasquarello, Alfredo
Publication Year 2019
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 info:eu-repo/semantics/other
Format application/zip; text/plain; text/markdown
Discipline Materials Science and Engineering