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Studying the thermal desorption of hydrogen in some carbon nanostructures and graphite

  • The methodology of the approximation and interpretation of thermal desorption spectra (TDS) of hydrogen in some carbon nanostructures and graphite has been developed and applied for such materials. The methodology is based on a definite approximation by the symmetrical Gaussians of the hydrogen thermal desorption spectra, obtained by using one single heating rate, for carbon materials and nanomaterials, and a definite processing of the Gaussians, in the approximation of the first-order reactions and the second-order ones. It results in determining (with a satisfactory accuracy, for the further physical analysis), from TDS data of one single heating rate, the activation energies and pre-exponential factors of the rate constants of desorption processes corresponding to the main TDS peaks with different temperatures of the maximum desorption rate. The developed methodology contains several successive steps of its implementation, including the use of several “criterions of truth” and the final verification and/or modification of the results, with the help of numerical modeling methods. This technique is not less informative, but much less time-consuming in experimental terms compared to the generally accepted classical Kissinger method, which demands using of several heating rates, and has strict limits of applicability. Furthermore, the methodology allows one to reveal physics and atomic mechanisms of the main desorption processes through thermodynamic analysis of the obtained peak characteristics and comparison with the corresponding independent experimental and theoretical data. The purpose of such a methodology is to further reveal the weakly studied physics of the main states of hydrogen in carbon materials and nanomaterials, and not the thorough detailed mathematical description of the spectra. For this case, both the large difference and the large spread of the known experimental and theoretical values of the thermodynamic characteristics of the main desorption processes, important for hydrogen storage problems, are also taken into account.

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Author:Yu.S. Nechaev, N.M. Alexandrova, A.O. Cheretaeva, V.L. Kuznetsov, A. Öchsner, E.K. Kostikova, Yu.V. Zaika
Parent Title (English):International Journal of Hydrogen Energy
Place of publication:Amsterdam
Document Type:Article
Year of Completion:2020
Release Date:2021/01/11
First Page:25030
Last Page:25042
Open Access?:nur im Hochschulnetz
Relevance:Peer reviewed Publikation in Master Journal Liste (Clarivate)
Licence (German):License LogoVeröffentlichungsvertrag ohne Print-on-Demand