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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| -
DFT with corrections for an efficient and accurate description of strong electron correlations in NiO
Free accessIOP Institute of Physics | 2023| -
Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites
American Chemical Society | 2021| -
Codoping and Grain-Boundary Cosegregation of Substitutional Cations in a-Al2O3: A Density-Functional-Theory Study
Online Contents | 2005|Contributors: Elsässer, Traude -
Eigenschaften amorpher transparenter leitfähiger Oxide (a‐TCOs)
Gezieltes Design mit Hilfe der MaterialmodellierungWiley | 2013| -
Determination of formation energies and phase diagrams of transition metal oxides with DFT+U
Free accessBASE | 2020|
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