Large electronegativity differences between adjacent atomic sites activate and stabilize ZnIn<sub>2</sub>S<sub>4</sub> for efficient photocatalytic overall water splitting.

Xin, Xu; Li, Yuke; Zhang, Youzi; Wang, Yijin; Chi, Xiao; Wei, Yanping; Diao, Caozheng; Su, Jie et al. · Nat Commun · 2024

basic_science · Level V

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Abstract

Photocatalytic overall water splitting into hydrogen and oxygen is desirable for long-term renewable, sustainable and clean fuel production on earth. Metal sulfides are considered as ideal hydrogen-evolved photocatalysts, but their component homogeneity and typical sulfur instability cause an inert oxygen production, which remains a huge obstacle to overall water-splitting. Here, a distortion-evoked cation-site oxygen doping of ZnIn<sub>2</sub>S<sub>4</sub> (D-O-ZIS) creates significant electronegativity differences between adjacent atomic sites, with S<sub>1</sub> sites being electron-rich and S<sub>2</sub> sites being electron-deficient in the local structure of S<sub>1</sub>-S<sub>2</sub>-O sites. The strong charge redistribution character activates stable oxygen reactions at S<sub>2</sub> sites and avoids the common issue of sulfur instability in metal sulfide photocatalysis, while S<sub>1</sub> sites favor the adsorption/desorption of hydrogen. Consequently, an overall water-splitting reaction has been realized in D-O-ZIS with a remarkable solar-to-hydrogen conversion efficiency of 0.57%, accompanying a ~ 91% retention rate after 120 h photocatalytic test. In this work, we inspire an universal design from electronegativity differences perspective to activate and stabilize metal sulfide photocatalysts for efficient overall water-splitting.