articleAngewandte Chemie International EditionNov 1, 2023Closed access

Rapid Charge Transfer Endowed by Interfacial Ni‐O Bonding in S‐scheme Heterojunction for Efficient Photocatalytic H 2 and Imine Production

China University of Geosciences · University of Science and Technology of China · +2 more institutions

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Abstract

Abstract Cooperative coupling of H 2 evolution with oxidative organic synthesis is promising in avoiding the use of sacrificial agents and producing hydrogen energy with value‐added chemicals simultaneously. Nonetheless, the photocatalytic activity is obstructed by sluggish electron‐hole separation and limited redox potentials. Herein, Ni‐doped Zn 0.2 Cd 0.8 S quantum dots are chosen after screening by DFT simulation to couple with TiO 2 microspheres, forming a step‐scheme heterojunction. The Ni‐doped configuration tunes the highly active S site for augmented H 2 evolution, and the interfacial Ni−O bonds provide fast channels at the atomic level to lower the energy barrier for charge transfer. Also, DFT…

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