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Boosting hydrogen evolution via optimized hydrogen adsorption at the interface of CoP₃ and Ni₂P

Author:
Wang, Kewei, She, Xilin, Chen, Shuai, Liu, Hongli, Li, Daohao, Wang, Yu, Zhang, Huawei, Yang, Dongjiang, Yao, Xiangdong
Source:
Journal of materials chemistry 2018 v.6 no.14 pp. 5560-5565
ISSN:
2050-7496
Subject:
active sites, adsorption, catalysts, catalytic activity, density functional theory, hydrogen, hydrogen production, phosphides, protons
Abstract:
Transition metal phosphides (TMPs) have emerged as highly active catalysts for the hydrogen evolution reaction (HER). Herein, we report a novel excellent CoP₃/Ni₂P catalyst for the HER with a small onset potential of 51 mV vs. RHE, a low Tafel slope of 49 mV dec⁻¹, a small over-potential value of 115 mV at 10 mA cm⁻², and outstanding long-term stability. The normalized polarization curve also shows that CoP₃/Ni₂P has the best intrinsic catalytic activity compared to pure CoP₃ and pure Ni₂P. Density functional theory (DFT) calculations reveal that the remarkably enhanced catalytic activity is due to the interface effect of CoP₃/Ni₂P. The strong interactions at the interface can optimize the electronic environment around the active sites, leading to suitable H⁺ adsorption and H₂ formation kinetics and energetics, thereby enhancing the catalytic activity.
Agid:
6185323