Defect levels at GaAs/Al2O3 interfaces: As-As dimer vs. Ga dangling bond

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Defect levels at GaAs/Al2O3 interfaces: As-As dimer vs. Ga dangling bond

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Range-separated hybrid functionals for accurate prediction of band gaps of extended systems

Automated mixing of maximally localized Wannier functions into target manifolds

Unraveling the Effect of the Chemical and Structural Composition of ZnxNi1-xFe2O4 on the Electron Transfer at the Electrochemical Interface

Accurate Measurement of Dynamic ON-Resistance in GaN Transistors at Steady-State

Zn3P2 as an earth-abundant photovoltaic material: from growth to device

Fermi energy determination for advanced smearing techniques

Transcapacitances Modeling in ultra-thin gate-all-around junctionless nanowire FETs, including 2D quantum confinement

Electrical spectroscopy of defect states and their hybridization in monolayer MoS2

2023 Roadmap on molecular modelling of electrochemical energy materials