Litcius/Paper detail

Mind the Interface Gap: Exposing Hidden Interface Defects at the Epitaxial Heterostructure between CuO and Cu<sub>2</sub>O

Aleksandar Živković, Giuseppe Mallia, Helen E. King, Nora H. de Leeuw, N. M. Harrison

2022ACS Applied Materials & Interfaces22 citationsDOIOpen Access PDF

Abstract

-O bond. The first process creates occupied defect-like electronic states above the valence band, while the second leaves hole states below the conduction band. These are constitutional to the interface and are highly likely to contribute to recombination effects competing with the improved charged separation from the suitable band bending and alignment and thus would limit the expected output photocurrent and photovoltage. Finally, a favorable effect of interstitial oxygen defects has been shown to allow for band gap tunability at the interface but only to the point of the integral geometrical contact limit of the heterostructure itself.

Topics & Concepts

HeterojunctionBand bendingMaterials sciencePhotocurrentEpitaxyOptoelectronicsBand gapChemical physicsElectronic structureHybrid functionalDensity functional theoryCharge carrierNanotechnologyCondensed matter physicsComputational chemistryChemistryPhysicsLayer (electronics)Copper-based nanomaterials and applicationsZnO doping and propertiesElectronic and Structural Properties of Oxides