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First principles DFT study of interstitial hydrogen and oxygen atoms in the MAX phase Ti2AlN
Free accessRoyal Society of Chemistry | 2017| -
Lithium Ion Conduction in LiTi2(PO4)3 and Related Compounds Based on the NASICON Structure: A First-Principles Study
American Chemical Society | 2015| -
Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites
American Chemical Society | 2021| -
Determination of formation energies and phase diagrams of transition metal oxides with DFT+U
Free accessBASE | 2020| -
Electronic Bulk and Surface Properties of Titanium Dioxide Studied by DFT-1/2
American Chemical Society | 2023| -
Berechnungen katalytisch relevanter Eigenschaften atomarer Defekte in Perowskit-Anodenmaterialien für Festoxid-Elektrolysezellen : Abschlussbericht V 1035/2020 zum Teilvorhaben I0 im Projekt "P2X: Erforschung, Validierung und Implementierung von "Power-to-X" Konzepten" : Projektlaufzeit: 01.09.2016-31.08.2019
Free accessTIBKAT | 2020| -
Berechnungen katalytisch relevanter Eigenschaften atomarer Defekte in Perowskit-Anodenmaterialien für Festoxid-Elektrolysezellen : Abschlussbericht V 1035/2020 zum Teilvorhaben I0 im Projekt "P2X: Erforschung, Validierung und Implementierung von "Power-to-X" Konzepten" : Projektlaufzeit: 01.09.2016-31.08.2019
TIBKAT | 2020| -
Multiferroic Grain Boundaries in Oxygen-Deficient Ferroelectric Lead Titanate
American Chemical Society | 2015|
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