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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 accessDOAJ | 2020| -
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| -
Wurtzite ScAlN, InAlN, and GaAlN crystals, a comparison of structural, elastic, dielectric, and piezoelectric properties
Free accessAmerican Institute of Physics | 2021| -
First-principles investigation of hydrogen interaction with TiC precipitates in α-Fe
Free accessBASE | 2016| -
Interactions of defect complexes and domain walls in CuO-doped ferroelectric
Free accessBASE | 2016| -
Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases
American Chemical Society | 2017| -
Development and validation of a procedure for numerical vibration analysis of an oscillating wave surge converter
Online Contents | 2016|Contributors: Windt, Christian, Elsässer, Björn
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