General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.

Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
28 Mar 2022
Historique:
entrez: 2 4 2022
pubmed: 3 4 2022
medline: 3 4 2022
Statut: ppublish

Résumé

The O vacancy (Ov) formation energy, E

Identifiants

DOI: 10.1063/5.0087031 PMID: 35364886
pubmed: 35364886
doi: 10.1063/5.0087031
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

124704

Auteurs

Benjamin X Shi (BX)

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
ORCID: s0000000332720996

Venkat Kapil (V)

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
ORCID: s0000000303242198

Andrea Zen (A)

Dipartimento di Fisica Ettore Pancini, Università di Napoli Federico II, Monte S. Angelo, I-80126 Napoli, Italy.
ORCID: s0000000276484078

Ji Chen (J)

School of Physics, Peking University, Beijing 100871, China.
ORCID: s0000000316031963

Ali Alavi (A)

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
ORCID: s0000000206549489

Angelos Michaelides (A)

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
ORCID: s000000029169169X

Classifications MeSH