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- W3145409616 abstract "Precise catalyst discovery by theoretical calculation is currently providing novel and promising approach to fine design and fabricate efficient photocatalysts. We demonstrated a possibility of designing 2D/2D BiVO4/MXene heterojunction with excellent charge separation efficiency by density functional theory (DFT) and realized the preparation by hydrothermal method based on the theoretical results. As expected, the as-constructed composites exhibited an unprecedented photocatalytic activity for simultaneous removal of hexavalent chromium (83.6 %) and methylene blue (88.7 %) within 120 minutes under visible light by photogenerated electrons and holes respectively, which were 2.17- and 3.67-times compared with pristine BiVO4. This significant improvement is ascribed to the strong interfacial interaction within the unique 2D/2D heterojunction, which greatly improves the lifetime of charge carriers by reducing the recombination and shortening the transmission distance. The present work demonstrates a good example to firstly design reasonable catalyst by theoretical calculation and then efficiently improve the activity for environment remediation by solar-light driven photocatalysis." @default.
- W3145409616 created "2021-04-13" @default.
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- W3145409616 date "2021-05-10" @default.
- W3145409616 modified "2023-10-16" @default.
- W3145409616 title "Theory‐oriented Synthesis of 2D/2D BiVO<sub>4</sub>/MXene Heterojunction for Simultaneous Removal of Hexavalent Chromium and Methylene Blue" @default.
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- W3145409616 doi "https://doi.org/10.1002/cctc.202100315" @default.
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