First principles study of As 2p core-level shifts at GaAs/Al2O3 interfaces

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Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

First principles study of As 2p core-level shifts at GaAs/Al2O3 interfaces

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