Promoting charge separation in conjugated polymer for superior photocatalytic decomposition of DMSO to CH4 under sunlight illumination

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 497, P. 154401 - 154401

Published: July 29, 2024

Language: Английский

TM and P dual sites on polymeric carbon nitride enable highly selective CO reduction to C2 products with low potentials: A theoretical perspective

The Journal of Chemical Physics, Journal Year: 2024, Volume and Issue: 161(17)

Published: Nov. 1, 2024

The CO reduction reaction (CORR) for the production of high-value-added multi-carbon (C2+) products is currently being actively investigated, where searching high-efficiency catalysts with moderate intermediate binding strength and low kinetic barrier C–C coupling poses a significant challenge. In this study, we employed density functional theory computations to design four synergistic dual sites CORR C2 products, namely, TM-P@melon, by co-doping transition metals (TM = Mn, Fe, Co, Ni) phosphorus (P) into polymeric carbon nitride (i.e., melon-CN). Mn–P@melon Ni–P@melon exhibit higher selectivity toward C2H5OH C2H6, respectively, limiting potentials (C–C energy barriers) −0.43 V (0.52 eV) −0.17 (0.26 eV), respectively. introduction TM P atoms not only narrows band gap melon-CN but also favors *CHO, providing an active site coupling, thus facilitating catalytic reaction. Our work provides rational insights stable, low-cost, efficient that facilitate sustainable high-value chemicals fuels.

Language: Английский

Interfacial engineering of Co(OH)2@CN composites: A study of p-n heterojunctions with enhanced xylose/xylan photoreforming and CO2 reduction performance

Journal of Colloid and Interface Science, Journal Year: 2024, Volume and Issue: 682, P. 814 - 824

Published: Dec. 4, 2024

Language: Английский