Ab initio molecular dynamics study of lithium diffusion in tetragonal Li7La3Zr2O12

Erstveröffentlichung
2017
Authors
Andriyevsky, Bohdan
Doll, Klaus
Jacob, Timo
Wissenschaftlicher Artikel


Published in
Materials Chemistry and Physics ; 185 (2017). - S. 210-217. - ISSN 0254-0584. - eISSN 1879-3312
Link to publication
https://dx.doi.org/10.1016/j.matchemphys.2016.10.025
Faculties
Fakultät für Naturwissenschaften
Institutions
Institut für Elektrochemie
External cooperations
Helmholtz-Institut Ulm
EU Project uulm
THEOFUN / Theoretical studies on the functionalisation of metal surfaces with organic and biological complexes under electrochemical conditions / EC / FP7 / 259608
Subject headings
[Free subject headings]: Inorganic compounds | ab initio calculations | Molecular dynamics | Diffusion | Transport properties | garnet-type li7la3zr2o12 | augmented-wave method | ion conduction | intercalation batteries | li5la3m2o12 m | electrolytes | transition | phases | oxides | ba
[DDC subject group]: DDC 540 / Chemistry & allied sciences
Metadata
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