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Molecular dynamics simulation of crystal structure and heat capacity in perovskite-type molybdates SrMoO3 and BaMoO3

Wang, Shuai ; Mohammadi, Mahdad ; Dirba, Imants ; Hofmann, K. ; Albert, Barbara ; Alff, Lambert ; Kommissinskiy, Philipp ; Molina-Luna, Leopoldo (2021):
Molecular dynamics simulation of crystal structure and heat capacity in perovskite-type molybdates SrMoO3 and BaMoO3.
In: Computational Materials Science, 197, p. 110609. ISSN 0927-0256,
DOI: 10.1016/j.commatsci.2021.110609,
[Article]

Item Type: Article
Erschienen: 2021
Creators: Wang, Shuai ; Mohammadi, Mahdad ; Dirba, Imants ; Hofmann, K. ; Albert, Barbara ; Alff, Lambert ; Kommissinskiy, Philipp ; Molina-Luna, Leopoldo
Title: Molecular dynamics simulation of crystal structure and heat capacity in perovskite-type molybdates SrMoO3 and BaMoO3
Language: English
Journal or Publication Title: Computational Materials Science
Journal volume: 197
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Advanced Electron Microscopy (aem)
11 Department of Materials and Earth Sciences > Material Science > Functional Materials
07 Department of Chemistry
07 Department of Chemistry > Fachgebiet Anorganische Chemie
Date Deposited: 10 Jun 2021 05:32
DOI: 10.1016/j.commatsci.2021.110609
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