Atomic Arrangement in MetalDoped NiS2 Boosts Hydrogen Evolution Reaction in AlkalineMedia

Recently, Lanzhou University, Xia Xianxian and others reported a novel modulation strategy to flexibly optimize electronic structures and atomic arrangements by introducing transition metals in NiS2 nanosheets (NSs). The synthesized Co-NiS2 NSs have excellent HER performance in an alkaline medium with an overpotential of 80 mV, j = 10 mA cm-2, and long-term stability of up to 90 h. At overpotentials of 100 and 200 mV, the TOF is 0.55 s-1 and 4.1 s-1, respectively, which confirms its superior performance.


The DFT calculation shows that the surface dopant makes the surface Ni-3d band extremely sensitive in the long-range order, which acts on the higher electron transfer activity and becomes the electron consumption center. At the same time, the high surface S site has high selectivity and can decompose the adsorbed H2O, thus ensuring high HER performance under alkaline conditions. This work provides a reference for optimizing the atomic arrangement and electronic structure to enhance water decomposition performance through a simple doping strategy.






JieYin, Jing Jin, Hong Zhang, Pinxian Xi,* et al. Atomic Arrangement in MetalDoped NiS2 Boosts Hydrogen Evolution Reaction in AlkalineMedia. Angew. Chem. Int. Ed., 2019
DOI: 10.1002/anie.201911470
Https://onlinelibrary.wiley.com/doi/10.1002/anie.201911470

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