Ni3N Modified MOF Heterostructure with Tailored Electronic Structure for Efficient Overall Water Splitting

Hongnan Jia, Na Yao, Juan Zhu, Yujia Liu, Yunhao Lao, Hengjiang Cong* and Wei Luo*

Chin. J. Struct. Chem. 2022, 41, 2208031-2208036  DOI: 10.14102/j.cnki.0254-5861.2022-0112

July 25, 2022

hydrogen evolution reaction, Ni3N, MOF, DFT calculation, water splitting

ABSTRACT

Exploring bifunctional electrocatalysts with high-efficiency and stability toward overall water splitting is desirable for sustainable energy technologies, yet challenging. Herein, we report the construction of Ni3N on the surface of Ni-MOF-74 through an in-situ nitriding process. The obtained Ni-MOF-74/Ni3N exhibits remarkable HER activity, with an overpotential of 73 mV to deliver 10 mA cm−2. Theoretical calculations and experimental study demonstrate the electron transport between Ni3N and Ni-MOF-74, leading to the improved H2O adsorption, optimized hydrogen adsorption, and increased Had diffusion, which contributes to the enhanced HER performance. Besides, the obtained Ni-MOF-74/Ni3N also possesses outstanding activity toward OER and overall water splitting.



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