Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride

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dc.contributor.authorHenkel, Pascal
dc.contributor.authorMollenhauer, Doreen
dc.date.accessioned2022-11-25T06:59:42Z
dc.date.available2022-11-25T06:59:42Z
dc.date.issued2021
dc.description.sponsorshipDeutsche Forschungsgemeinschaft (DFG); ROR-ID:018mejw64
dc.identifier.urihttps://jlupub.ub.uni-giessen.de//handle/jlupub/9742
dc.identifier.urihttp://dx.doi.org/10.22029/jlupub-9130
dc.language.isoen
dc.rightsNamensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject.ddcddc:540
dc.titleUncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride
dc.typearticle
local.affiliationFB 08 - Biologie und Chemie
local.projectGRK (Research Training Group) 2204 “Substitute Materials for Sustainable Energy Technologies”
local.source.epage1295
local.source.journaltitleJournal of computational chemistry
local.source.spage1283
local.source.urihttps://doi.org/10.1002/jcc.26546
local.source.volume42

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