Catalytic decomposition of organic/inorganic peroxides via 1-3D carbon matrices: empirical and quantum-chemical study

The catalytic decomposition of the inorganic (hydrogen peroxide) and organic (benzoyl and lauroyl) peroxides by a different type of carbon matrices has been investigated. The activity of the carbon-based catalyst, such as carbon nanotubes (1D), graphene (2D), activated carbon (3D), and their modifie...

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Bibliographic Details
Published in:	Reaction kinetics, mechanisms and catalysis Vol. 131; no. 2; pp. 583 - 597
Main Authors:	Voitko, K. V., Demianenko, E. M., Kuts, V. S., Bakalinska, O. M., Grebenyuk, A. G., Kartel, M. T.
Format:	Journal Article
Language:	English
Published:	Cham Springer International Publishing 01-12-2020
Subjects:	Catalysis Chemistry Chemistry and Materials Science Industrial Chemistry/Chemical Engineering Physical Chemistry electron transfer carbon matrix peroxide decomposition electronic structure
Online Access:	Get full text
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Summary:	The catalytic decomposition of the inorganic (hydrogen peroxide) and organic (benzoyl and lauroyl) peroxides by a different type of carbon matrices has been investigated. The activity of the carbon-based catalyst, such as carbon nanotubes (1D), graphene (2D), activated carbon (3D), and their modified forms (O- and N-doped) was analyzing and comparing. The effects of the carbon’s electronic structure on catalytic performance have been established by the quantum-chemical study. Obtained DFT results correlate with experimental ones and demonstrate increases in the carbon’s catalytic activity in the presence of electron-donating groups. This observation is fair despite the type of carbocatalyst as well as the type of peroxide. A comprehensive assessment of obtained results allows for the conclusion that it is the uniform mechanism of peroxides decomposition that proceeds through electron transfer. However, textural characteristics and diffusion limitations are also affecting the catalytic activity and should not be ignored, especially for 1D and 3D matrices.
ISSN:	1878-5190 1878-5204
DOI:	10.1007/s11144-020-01891-9