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Published in 2021 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2021.780935
Abstract: Cu impurities are reported to have significant effects on the electrical and optical properties of bulk ZnO. In this work, we study the defect properties of Cu in ZnO using hybrid quantum mechanical/molecular mechanical (QM/MM)–embedded…
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Keywords:
interstitial substitutional;
substitutional copper;
copper zinc;
zinc oxide ... See more keywords