Dopant triggered atomic configuration activates water splitting to hydrogen.

Wu, Rui; Xu, Jie; Zhao, Chuan-Lin; Su, Xiao-Zhi; Zhang, Xiao-Long; Zheng, Ya-Rong; Yang, Feng-Yi; Zheng, Xu-Sheng et al. · Nat Commun · 2023

basic_science · Level V

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Abstract

Finding highly efficient hydrogen evolution reaction (HER) catalysts is pertinent to the ultimate goal of transformation into a net-zero carbon emission society. The design principles for such HER catalysts lie in the well-known structure-property relationship, which guides the synthesis procedure that creates catalyst with target properties such as catalytic activity. Here we report a general strategy to synthesize 10 kinds of single-atom-doped CoSe<sub>2</sub>-DETA (DETA = diethylenetriamine) nanobelts. By systematically analyzing these products, we demonstrate a volcano-shape correlation between HER activity and Co atomic configuration (ratio of Co-N bonds to Co-Se bonds). Specifically, Pb-CoSe<sub>2</sub>-DETA catalyst reaches current density of 10 mA cm<sup>-2</sup> at 74 mV in acidic electrolyte (0.5 M H<sub>2</sub>SO<sub>4</sub>, pH ~0.35). This striking catalytic performance can be attributed to its optimized Co atomic configuration induced by single-atom doping.