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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| -
Eigenschaften amorpher transparenter leitfähiger Oxide (a‐TCOs)
Gezieltes Design mit Hilfe der MaterialmodellierungWiley | 2013| -
Codoping and Grain-Boundary Cosegregation of Substitutional Cations in a-Al2O3: A Density-Functional-Theory Study
Online Contents | 2005|Contributors: Elsässer, Traude -
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| -
A density functional theory study on the passivation mechanisms of hydrogenated Si/Al2O3 interfaces
American Institute of Physics | 2020| -
Computational analysis of composition-structure-property-relationships in NZP-type materials for Li-ion batteries
American Institute of Physics | 2019| -
Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon
American Institute of Physics | 2014| -
Theoretical limits of magnetic detection of structural surface defects at the nanometer scale
Free accessArXiv | 2024| -
Stability and magnetic properties of grain boundaries in the inverse Heusler phase Fe$_2$CoGa and in bcc Fe
Free accessArXiv | 2021| -
First-principles calculation of electroacoustic properties of wurtzite (Al,Sc)N
Free accessArXiv | 2020| -
Mechanisms for p-type behavior of ZnO, Zn$_{1-x}$Mg$_x$O and related oxide semiconductors
Free accessArXiv | 2016| -
First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel
British Library Online Contents | 2015| -
APPARATUS AND METHOD FOR AUTOMATED TRAFFIC AND DRIVING PATTERN RECOGNITION AND LOCATION-DEPENDENT MEASUREMENT OF ABSOLUTE AND/OR RELATIVE RISK PROBABILITIES FOR CAR ACCIDENTS
Free accessEuropean Patent Office | 2018| -
Segregated light elements at grain boundaries in niobium and molybdenum
National licenceAmerican Physical Society | 2003| -
Stability and electronic structure of NV centers at dislocation cores in diamond
Free accessArXiv | 2022|
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