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Ni-N4 sites in a single-atom Ni catalyst on N-doped carbon for hydrogen production from formic acid Full article

Journal Journal of Catalysis
ISSN: 0021-9517 , E-ISSN: 1090-2694
Output data Year: 2021, Volume: 402, Pages: 264-274 Pages count : 11 DOI: 10.1016/j.jcat.2021.08.044
Authors Bulushev D.A. 1 , Nishchakova A.D. 2 , Trubina S.V. 2 , Stonkus O.A. 1 , Asanov I.P. 2 , Okotrub A.V. 2 , Bulusheva L.G. 2
Affiliations
1 Boreskov Institute of Catalysis, SB RAS, Novosibirsk
2 Nikolaev Institute of Inorganic Chemistry, Siberian Branch of Russian Academy of Sciences

Abstract: The purposes of this research were to synthesize single-atom 1 wt% Ni catalysts for the hydrogen production from formic acid using a simple impregnation of N-doped carbon with Ni acetate, to elucidate the nature of the Ni site using a combination of experimental methods with density functional theory calculations, to propose a reaction mechanism with this Ni site and to compare the catalytic properties of the single-atom catalysts with those of a traditional Ni catalyst with nanoparticles (3.9 nm). We found that the single Ni atom formed a Ni-N4 site in a double vacancy of curved N-doped graphene. Mass-based catalytic activities of the single-atom and traditional catalysts were close. The mechanism of the reaction involved the formation of formate through participation of the Ni and N atoms. The highest energy barrier (1.088 eV) was determined for the step of recombination of hydrogen atoms. This barrier corresponded well to the experimental apparent activation energy.
Cite: Bulushev D.A. , Nishchakova A.D. , Trubina S.V. , Stonkus O.A. , Asanov I.P. , Okotrub A.V. , Bulusheva L.G.
Ni-N4 sites in a single-atom Ni catalyst on N-doped carbon for hydrogen production from formic acid
Journal of Catalysis. 2021. V.402. P.264-274. DOI: 10.1016/j.jcat.2021.08.044 WOS Scopus РИНЦ OpenAlex
Identifiers:
Web of science: WOS:000704418200010
Scopus: 2-s2.0-85114139779
Elibrary: 47051391
OpenAlex: W3196044730
Citing:
DB Citing
Web of science 47
Scopus 44
Elibrary 44
OpenAlex 54
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