Ni-N4 Sites in a Single-Atom Ni Catalyst on N-Doped Carbon for Hydrogen Production from Formic Acid | Sciact - CRIS-система Института катализа

Ni-N4 Sites in a Single-Atom Ni Catalyst on N-Doped Carbon for Hydrogen Production from Formic Acid Научная публикация

Журнал

Journal of Catalysis
ISSN: 0021-9517 , E-ISSN: 1090-2694

Вых. Данные

Год: 2021, Том: 402, Страницы: 264-274 Страниц : 11 DOI: 10.1016/j.jcat.2021.08.044

Ключевые слова

DFT; Formic acid decomposition; Hydrogen production; N-doped carbon; Ni single-atom catalyst; Ni-N4 site; XANES/EXAFS; XPS

Авторы

Bulushev Dmitri A. ¹ , Nishchakova Alina D. ² , Trubina Svetlana V. ² , Stonkus Olga A. ¹ , Asanov Igor P. ² , Okotrub Alexander V. ² , Bulusheva Lyubov G. ²

Организации

1	Boreskov Institute of Catalysis SB RAS, 5 Acad. Lavrentiev Ave., 630090 Novosibirsk, Russia
2	Nikolaev Institute of Inorganic Chemistry SB RAS, 3 Acad. Lavrentiev Ave., 630090 Novosibirsk, Russia

Информация о финансировании (2)

1	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	0239-2021-0005
2	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	FWUZ-2021-0006 (121031700314-5)

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. © 2021 Elsevier Inc.

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 CAPlus OpenAlex

Поступила в редакцию:	2 июн. 2021 г.
Принята к публикации:	18 авг. 2021 г.
Опубликована online:	26 авг. 2021 г.
Опубликована в печати:	1 окт. 2021 г.

Web of science:	WOS:000704418200010
Scopus:	2-s2.0-85114139779
РИНЦ:	47051391
Chemical Abstracts:	2021:1987773
OpenAlex:	W3196044730

БД	Цитирований
Scopus	48
Web of science	46
РИНЦ	44
OpenAlex	54