Type-I band alignment of BX–ZnO (X = As, P) van der Waals heterostructures as high-efficiency water splitting photocatalysts: a first-principles study
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DOI: 10.1039/d0ra09701b
Abstract: In this work, we perform first-principles calculations to examine the electronic, optical and photocatalytic properties of the BX–ZnO (X = As, P) heterostructures. The interlayer distance and binding energy of the most energetically favorable stacking… read more here.
Keywords: water; zno; zno heterostructures; bas zno ... See more keywords