Ni doping modulated adsorption of hydrogen atoms on CoSe2 electrocatalyst for excellent acid hydrogen evolution by water splitting

CoSe 2 nanostructure was regarded as an excellent electrocatalyst for hydrogen evolution reaction by water splitting owing to its particular electronic configuration. Herein, Ni atoms doped in CoSe 2 nanowire arrays was fabricated on carbon fiber paper substrate by two-step hydrothermal routes and s...

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Bibliographic Details
Published in:Ionics 2022-03, Vol.28 (3), p.1323-1335
Main Authors: Zhang, Long, Li, Zhao, Lu, Yuanyuan, Yang, Sen, Zhang, Haihong, Tang, Jianjiang, Yu, Fangli, Liu, Yingbin, Chen, Guanjun, Zhou, Yun
Format: Article
Language:English
Subjects:
Adsorption
Carbon fibers
Chemistry
Chemistry and Materials Science
Condensed Matter Physics
Density functional theory
Doping
Electrocatalysts
Electrochemistry
Energy Storage
Heat treatment
Hydrogen atoms
Hydrogen evolution reactions
Nanowires
Optical and Electronic Materials
Original Paper
Renewable and Green Energy
Substrates
Sulfuric acid
Transient analysis
Water splitting
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Summary:CoSe 2 nanostructure was regarded as an excellent electrocatalyst for hydrogen evolution reaction by water splitting owing to its particular electronic configuration. Herein, Ni atoms doped in CoSe 2 nanowire arrays was fabricated on carbon fiber paper substrate by two-step hydrothermal routes and subsequent heat treatment. Both common transient analysis, steady-state analysis, and TOF and EIS measurements confirmed that Ni doping effect could significantly enhance the HER performance of CoSe 2 in 0.5 M H 2 SO 4 electrolyte. Density functional theory calculation showed that Ni doping effect in CoSe 2 lattice can decrease the electronic density of Se p-orbital around the Fermi level. The ΔG H* in Se site of Ni-doped CoSe 2 was decreased to 0.196 eV from 0.356 eV (pure CoSe 2 ) because the empty orbital of Se sites could strengthen the adsorption of H atoms. Finally, Ni doping effect provides an effective method for improved HER activity of CoSe 2 electrocatalyst.
ISSN:0947-7047
1862-0760
DOI:10.1007/s11581-021-04392-4