Email this article Regular chemisorption of hydrogen on achiral single-walled carbon nanotubes
- Authors: Bogdanova D.A.1, Bulyarskii S.V.1
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Affiliations:
- Ul’yanovsk State University
- Issue: Vol 58, No 7 (2016)
- Pages: 1407-1411
- Section: Impurity Centers
- URL: https://ogarev-online.ru/1063-7834/article/view/198181
- DOI: https://doi.org/10.1134/S1063783416070076
- ID: 198181
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Abstract
Regular chemisorption of hydrogen on achiral single-walled carbon nanotubes has been investigated with the use of AM1 quantum-chemical semiempirical method. It has been found that regular hydrogen chemisorption deforms nanotubes, in some cases leading to stable prismatic modifications. The dependence of the adsorption energy on the density of hydrogen coverage has been found. A procedure for determining the adsorption energy by the spectra of thermally stimulated desorption has been proposed.
About the authors
D. A. Bogdanova
Ul’yanovsk State University
Author for correspondence.
Email: bogdanovaDA8@gmail.com
Russian Federation, ul. L’va Tolstogo 42, Ul’yanovsk, 432017
S. V. Bulyarskii
Ul’yanovsk State University
Email: bogdanovaDA8@gmail.com
Russian Federation, ul. L’va Tolstogo 42, Ul’yanovsk, 432017
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