Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution.

Sun, Yamei; Xue, Ziqian; Liu, Qinglin; Jia, Yaling; Li, Yinle; Liu, Kang; Lin, Yiyang; Liu, Min et al. · Nat Commun · 2021

basic_science · Level V

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Abstract

Developing high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic frameworks (MOFs) hydrogen evolution reaction electrocatalyst (NiRu<sub>0.13</sub>-BDC) by introducing atomically dispersed Ru. Significantly, the obtained NiRu<sub>0.13</sub>-BDC exhibits outstanding hydrogen evolution activity in all pH, especially with a low overpotential of 36 mV at a current density of 10 mA cm<sup>-2</sup> in 1 M phosphate buffered saline solution, which is comparable to commercial Pt/C. X-ray absorption fine structures and the density functional theory calculations reveal that introducing Ru single-atom can modulate electronic structure of metal center in the MOF, leading to the optimization of binding strength for H<sub>2</sub>O and H*, and the enhancement of HER performance. This work establishes single-atom strategy as an efficient approach to modulate electronic structure of MOFs for catalyst design.