FIRST-PRINCIPLES STUDY OF OXYGEN-VACANCY Cu2O (111) SURFACE

作者: HUANWEN WU , NING ZHANG , HONGMING WANG , SANGUO HONG

DOI: 10.1142/S0219633612500848

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摘要: Geometric and electronic properties and vacancy formation energies for two kinds of oxygen-vacancy Cu 2 O (111) surfaces have been investigated by first-principles calculations …

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