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

Kou, Tianyi; Chen, Mingpeng; Wu, Feng; Smart, Tyler J.; Wang, Shanwen; Wu, Yishang; Zhang, Ying; Li, Shengtong; Lall, Supriya; Zhang, Zhonghua; Liu, Yi-Sheng; Guo, Jinghua; Wang, Gongming; Ping, Yuan; Li, Yat

doi:10.1038/s41467-020-14462-2

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

Journal Article · Thu Jan 30 00:00:00 EST 2020 · Nature Communications

DOI:https://doi.org/10.1038/s41467-020-14462-2· OSTI ID:1603613

Kou, Tianyi ^[1]; Chen, Mingpeng ^[1]; Wu, Feng ^[1]; Smart, Tyler J. ^[1]; Wang, Shanwen ^[1]; Wu, Yishang ^[2]; Zhang, Ying ^[3]; Li, Shengtong ^[1]; Lall, Supriya ^[1];

^[3];

^[4];

^[2]; Ping, Yuan ^[1]; Li, Yat ^[1]

Univ. of California, Santa Cruz, CA (United States)
Univ. of Science and Technology of China, Hefei (China)
Shandong Univ., Jinan (China)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Aeronautics and Space Administration (NASA); National Natural Science Foundation of China (NSFC); National Science Foundation (NSF); National Key Research and Development Program of China; Natural Science Fund of China

Grant/Contract Number:: AC02-05CH11231; SC0012704; ACI-1548562; AST 1828315; TG-DMR160105

OSTI ID:: 1603613

Journal Information:: Nature Communications, Vol. 11, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 121 works

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