Design strategy of porphyrin/divinylbenzene copolymer with enhanced photocatalytic performance

Molecular Catalysis, Journal Year: 2025, Volume and Issue: 573, P. 114826 - 114826

Published: Jan. 10, 2025

Language: Английский

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DFT-Based Mechanistic Exploration and Application in Photocatalytic Heterojunctions

Journal of Chemical Theory and Computation, Journal Year: 2024, Volume and Issue: 20(22), P. 9770 - 9786

Published: Nov. 7, 2024

Density functional theory (DFT) is one of the most widely used methods in field computational materials and has become an important research method for photocatalytic heterojunctions. Based on progress DFT heterojunctions, this review introduces three kinds heterojunction modeling detail as well problems encountered construction process solutions. It provides a comprehensive calculation parameters related to Comparison, analysis, discussion were conducted some selections results based experimental data. Finally, limitations shortcomings heterojunctions are pointed out. This will provide valuable guidance analysis performance help promote wider application photocatalysis.

Language: Английский

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WO3/g-C3N4 synergistic photocatalysts for degradation and H2 production

Ceramics International, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 1, 2024

Language: Английский

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Controllable construction of defect-mediated Z-scheme heterojunction for dual-functional cooperative photocatalysis of benzyl alcohol conversion and hydrogen evolution

Applied Catalysis B Environment and Energy, Journal Year: 2024, Volume and Issue: unknown, P. 125011 - 125011

Published: Dec. 1, 2024

Language: Английский

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