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Carbon doping switching on the hydrogen adsorption activity of NiO for hydrogen evolution reaction

Journal Article · · Nature Communications
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  1. Univ. of California, Santa Cruz, CA (United States)
  2. Univ. of Science and Technology of China, Hefei (China)
  3. Shandong Univ., Jinan (China)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
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Hydrogen evolution reaction (HER) is more sluggish in alkaline than in acidic media because of the additional energy required for water dissociation. Numerous catalysts, including NiO, that offer active sites for water dissociation have been extensively investigated. Yet, the overall HER performance of NiO is still limited by lacking favorable H adsorption sites. Here we show a strategy to activate NiO through carbon doping, which creates under-coordinated Ni sites favorable for H adsorption. DFT calculations reveal that carbon dopant decreases the energy barrier of Heyrovsky step from 1.17 eV to 0.81 eV, suggesting the carbon also serves as a hot-spot for the dissociation of water molecules in water-alkali HER. As a result, the carbon doped NiO catalyst achieves an ultralow overpotential of 27 mV at 10 mA cm-2, and a low Tafel slope of 36 mV dec-1, representing the best performance among the state-of-the-art NiO catalysts.
Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
NASA; National Key Research and Development Program of China; National Natural Science Foundation of China (NNSFC); National Science Foundation (NSF); Natural Science Fund of China; USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231; SC0012704
OSTI ID:
1603613
Journal Information:
Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 11; ISSN 2041-1723
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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