Cucurbit[6]uril as a Co-Catalyst for Hydrogen Production from Formic Acid | Sciact - CRIS-система Института катализа

Cucurbit[6]uril as a Co-Catalyst for Hydrogen Production from Formic Acid Научная публикация

Журнал

Materials Today Energy
, E-ISSN: 2468-6069

Вых. Данные

Год: 2022, Том: 26, Номер статьи : 100998, Страниц : 9 DOI: 10.1016/j.mtener.2022.100998

Ключевые слова

Cucurbituril; Formic acid decomposition; Gold; Metal-free catalyst; Single-walled carbon nanotubes

Авторы

Bulushev Dmitri A. ¹ , Chekhova Galina N. ² , Sobolev Vladimir I. ¹ , Chuvilin Andrey L. ^3,4 , Fedoseeva Yuliya V. ² , Gerasko Olga A. ² , Okotrub Alexander V. ² , Bulusheva Lyubov G. ²

Организации

1	Boreskov Institute of Catalysis, SB RAS, 5 Acad. Lavrentiev Ave., Novosibirsk, 630090, Russian Federation
2	Nikolaev Institute of Inorganic Chemistry, SB RAS, 3 Acad. Lavrentiev Ave., Novosibirsk, 630090, Russian Federation
3	CIC nanoGUNE Consolider, San Sebastian, E-20018, Spain
4	IKERBASQUE, Basque Foundation for Science, Bilbao, E-48013, Spain

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)

Cucurbiturils are organic macrocycles, which are only rarely used for catalytic reactions. We studied a composite comprising of single-walled carbon nanotubes (SWCNTs), cucurbit[6]uril (CB6) and Au species and demonstrated that CB6 is a co-catalyst for hydrogen production from formic acid. Thus, insertion of CB6 into SWCNTs with open tips provides a decrease of the reaction temperatures by 60 K as compared to those over pure SWCNTs. This indicates that CB6 is a metal-free catalyst for this reaction. The use of CB6 during the synthesis of Au catalysts supported on SWCNTs leads to even a stronger decrease of the reaction temperature by 110 K as compared to the Au/SWCNTs catalyst. Density functional theory (DFT) calculations show that these effects could be explained by abstraction of the hydrogen atom from the hydroxyl group of the formic acid molecule on the basic carbonyl portal of the CB6 molecule with the formation of the formate containing adduct. Unusual sandwich-like structures of Au were formed inside the SWCNTs channels due to the interaction of Au with CB6. The results create a base for the development of catalysts containing cucurbiturils for the energy related reactions taking place through the hydrogen abstraction from reactant molecules.

Bulushev D.A. , Chekhova G.N. , Sobolev V.I. , Chuvilin A.L. , Fedoseeva Y.V. , Gerasko O.A. , Okotrub A.V. , Bulusheva L.G.
Cucurbit[6]uril as a Co-Catalyst for Hydrogen Production from Formic Acid
Materials Today Energy. 2022. V.26. 100998 :1-9. DOI: 10.1016/j.mtener.2022.100998 WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	30 янв. 2022 г.
Принята к публикации:	23 мар. 2022 г.
Опубликована online:	12 апр. 2022 г.
Опубликована в печати:	1 июн. 2022 г.

Web of science:	WOS:000855651700003
Scopus:	2-s2.0-85129683316
РИНЦ:	48583529
Chemical Abstracts:	2022:1371343
OpenAlex:	W4223535125

БД	Цитирований
РИНЦ	2
Scopus	4
Web of science	5
OpenAlex	6