Co and Co3O4 in the Hydrolysis of Boron-Containing Hydrides: H2O Activation on the Metal and Oxide Active Centers | Sciact - CRIS-система Института катализа

Co and Co3O4 in the Hydrolysis of Boron-Containing Hydrides: H2O Activation on the Metal and Oxide Active Centers Научная публикация

Журнал

Materials
ISSN: 1996-1944

Вых. Данные

Год: 2024, Том: 17, Номер: 8, Номер статьи : 1794, Страниц : 23 DOI: 10.3390/ma17081794

Ключевые слова

cobalt; cobalt oxide; sodium borohydride; ammonia borane; ethylenediamine bisborane; hydrolysis; activation; hydrogen production; rate-determining step; DFT

Авторы

Butenko Vladislav R. ¹ , Komova Oksana V. ¹ , Simagina Valentina I. ¹ , Lipatnikova Inna L. ¹ , Ozerova Anna M. ¹ , Danilova Natalya A. ^1,2 , Rogov Vladimir A. ^1,2 , Odegova Galina V. ¹ , Bulavchenko Olga A. ¹ , Chesalov Yuriy A. ¹ , Netskina Olga V. ^1,2

Организации

1	Boreskov Institute of Catalysis SB RAS, 5 Akademika Lavrentieva Ave., Novosibirsk 630090, Russia
2	Department of Natural Sciences, Novosibirsk State University, 1 Pirogova Str., Novosibirsk 630090, Russia

Информация о финансировании (1)

Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)

FWUR-2024-0034

This work focuses on the comparison of H2 evolution in the hydrolysis of boron-containing hydrides (NaBH4, NH3BH3, and (CH2NH2BH3)2) over the Co metal catalyst and the Co3O4-based catalysts. The Co3O4 catalysts were activated in the reaction medium, and a small amount of CuO was added to activate Co3O4 under the action of weaker reducers (NH3BH3, (CH2NH2BH3)2). The high activity of Co3O4 has been previously associated with its reduced states (nanosized CoBn). The performed DFT modeling shows that activating water on the metal-like surface requires overcoming a higher energy barrier compared to hydride activation. The novelty of this study lies in its focus on understanding the impact of the remaining cobalt oxide phase. The XRD, TPR H2, TEM, Raman, and ATR FTIR confirm the formation of oxygen vacancies in the Co3O4 structure in the reaction medium, which increases the amount of adsorbed water. The kinetic isotopic effect measurements in D2O, as well as DFT modeling, reveal differences in water activation between Co and Co3O4-based catalysts. It can be assumed that the oxide phase serves not only as a precursor and support for the reduced nanosized cobalt active component but also as a key catalyst component that improves water activation.

Butenko V.R. , Komova O.V. , Simagina V.I. , Lipatnikova I.L. , Ozerova A.M. , Danilova N.A. , Rogov V.A. , Odegova G.V. , Bulavchenko O.A. , Chesalov Y.A. , Netskina O.V.
Co and Co3O4 in the Hydrolysis of Boron-Containing Hydrides: H2O Activation on the Metal and Oxide Active Centers
Materials. 2024. V.17. N8. 1794 :1-23. DOI: 10.3390/ma17081794 WOS Scopus РИНЦ CAPlus PMID OpenAlex

Поступила в редакцию:	13 мар. 2024 г.
Принята к публикации:	10 апр. 2024 г.
Опубликована в печати:	13 апр. 2024 г.
Опубликована online:	13 апр. 2024 г.

Web of science:	WOS:001211339500001
Scopus:	2-s2.0-85191382187
РИНЦ:	66829458
Chemical Abstracts:	2024:927148
PMID (PubMed):	38673151
OpenAlex:	W4394817931

БД	Цитирований
OpenAlex	2
Scopus	3
Web of science	3
РИНЦ	2