文献类型：期刊文献

英文题名：Achieving Efficient Alkaline Hydrogen Evolution Reaction over a Ni5P4 Catalyst Incorporating Single-Atomic Ru Sites

作者：He, Qun[1];Tian, Dong[2];Jiang, Hongliang[1,3];Cao, Dengfeng[1];Wei, Shiqiang[1];Liu, Daobin[4];Song, Pin[4];Lin, Yue[1];Song, Li[1]

机构：[1]Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei Natl Lab Phys Sci Microscale, CAS Ctr Excellence Nanosci, Hefei 230029, Anhui, Peoples R China;[2]Kunming Univ Sci & Technol, State Key Lab Complex Nonferrous Met Resources Cl, Kunming 650093, Yunnan, Peoples R China;[3]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[4]Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore

年份：2020

卷号：32

期号：11

外文期刊名：ADVANCED MATERIALS

收录：;EI(收录号：20200508112196);WOS:【SCI-EXPANDED(收录号:WOS:000509356900001)】；

基金：Q.H., D.T., and H.J. contributed equally to this work. This work was financially supported by National Key R&D Program of China (2017YFA0303500), NSFC (U1932201, 11574280, 21727801, and 21978278), Innovative Research Groups of NSFC (11621063), NSFC-MAECI (51861135202), CAS Key Research Program of Frontier Sciences (QYZDB-SSW-SLH018), and CAS Interdisciplinary Innovation Team. L.S. acknowledges the support from Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Nankai University (111 Project, B12015). The authors thank the Shanghai Synchrotron Radiation Facility (14W1, SSRF) and the Hefei Synchrotron Radiation Facility (Photoemission and Catalysis/Surface Science Endstations at NSRL) for helps in characterizations.

语种：英文

外文关键词：alkaline hydrogen evolution; density functional theory; single atoms; structure polarization; X-ray absorption spectroscopy

摘要：Developing efficient electrocatalysts for alkaline water electrolysis is central to substantial progress of alkaline hydrogen production. Herein, a Ni5P4 electrocatalyst incorporating single-atom Ru (Ni5P4-Ru) is synthesized through the filling of Ru3+ species into the metal vacancies of nickel hydroxides and subsequent phosphorization treatment. Electron paramagnetic resonance spectroscopy, X-ray-based measurements, and electron microscopy observations confirm the strong interaction between the nickel-vacancy defect and Ru cation, resulting in more than 3.83 wt% single-atom Ru incorporation in the obtained Ni5P4-Ru. The Ni5P4-Ru as an alkaline hydrogen evolution reaction catalyst achieves low onset potential of 17 mV and an overpotential of 54 mV at a current density of 10 mA cm(-2) together with a small Tafel slope of 52.0 mV decade(-1) and long-term stability. Further spectroscopy analyses combined with density functional theory calculations reveal that the doped Ru sites can cause localized structure polarization, which brings the low energy barrier for water dissociation on Ru site and the optimized hydrogen adsorption free energy on the interstitial site, well rationalizing the experimental reactivity.