prof. dr. Stefaan Cottenier
- ORCID iD
- 0000-0003-2541-8043
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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
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Hyperfine properties at Zr sites of Zr-based compounds : a DFT FP-LAPW and GIPAW study
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On the feasibility of online terbium extraction at ISOL@MYRRHA
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Twofold rattling mode-induced ultralow thermal conductivity in vacancy-ordered double perovskite Cs2SnI6
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Towards accurate processing-structure-property links using deep learning
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- Journal Article
- A1
- open access
Hg adatoms on graphene : a first-principles study
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Reactivity of single transition metal atoms on a hydroxylated amorphous silica surface : a periodic conceptual DFT investigation
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The electric field gradient as a signature of the binding and the local structure of adatoms on graphene
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Metal phosphide CuP2 as a promising thermoelectric material : an insight from a first-principles study
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Structural and electrochemical trends in mixed manganese oxides Nax(M0.44Mn0.56)O2 (M = Mn, Fe, Co, Ni) for sodium-ion battery cathode