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Se Doping Regulates the Activity of NiTe2 for Electrocatalytic Hydrogen Evolution Reaction

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journal contribution
posted on 24.11.2020, 16:05 by Qingtao Wang, Yanna Huang, Liqiu Huang, Yanxia Wu, Shufang Ren
The development of high-efficiency electrocatalysts for hydrogen production from water is critical to the sustainable use of hydrogen energy. Transition-metal compounds, due to their lower price and excellent performance, have become the research focus to replace noble metal catalysts in recent years. In this work, a new type of selenium-doped NiTe2 was successfully synthesized by the one-step hydrothermal method. Among them, Se12%-NiTe2 had the best hydrogen evolution reaction (HER) performance. In the 0.5 M H2SO4 solution, when the hydrogen evolution over potentials were 375 and 514 mV, the current densities of 10 and 200 mA cm–2 could be provided, respectively. The Tafel slope was as low as 38 mV dec–1. At the same time, it had good stability in an acidic solution. The density functional theory calculations showed that Se doping not only reduces the hydrogen adsorption Gibbs free energy of NiTe2 but also generated new Se active sites with higher catalytic performance. In addition, Se doping increased the electrochemical active surface area and reduced the charge transfer resistance. This work provides an idea for the synthesis of an HER electrocatalyst with high efficiency and good stability.