Cucurbit[6]uril as a co-catalyst for hydrogen production from formic acid

Cucurbit[6]uril as a co-catalyst for hydrogen production from formic acid Full article

Journal

Materials Today Energy
, E-ISSN: 2468-6069

Output data

Year: 2022, Volume: 26, Article number : 100998, Pages count : 9 DOI: 10.1016/j.mtener.2022.100998

Authors

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

Affiliations

1	Boreskov Institute of Catalysis, SB RAS
2	Nikolaev Institute of Inorganic Chemistry, SB RAS
3	CIC nanoGUNE Consolider, San Sebastian, E-20018, Spain
4	IKERBASQUE, Basque Foundation for Science

Funding (2)

1	Ministry of Science and Higher Education of the Russian Federation	121031700314-5
2	Ministry of Science and Higher Education of the Russian Federation	AAAA-A21-121011390007-7

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 OpenAlex

Submitted:	Jan 30, 2022
Accepted:	Mar 23, 2022
Published online:	Apr 12, 2022

Web of science:	WOS:000855651700003
Scopus:	2-s2.0-85129683316
Elibrary:	48583529
OpenAlex:	W4223535125

DB	Citing
Elibrary	2
Web of science	4
Scopus	4
OpenAlex	6