Bandgap engineering in MnPS3 and ZnPS3 for photocatalytic water splitting: A first-principles study
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DOI: 10.1016/j.ijhydene.2021.05.182
Abstract: Abstract By virtue of their wide band gaps, the photocatalytic ability of MnPS3 and ZnPS3 for water splitting is subject to narrow visible light adsorption. In this work, the first-principle calculations are adopted to study… read more here.
Keywords: mnps3 znps3; biaxial strain; water splitting;