| Issue |
EPJ Web Conf.
Volume 224, 2019
IV International Conference “Modeling of Nonlinear Processes and Systems” (MNPS-2019)
|
|
|---|---|---|
| Article Number | 02009 | |
| Number of page(s) | 5 | |
| Section | Mathematical Modeling of Physical Phenomena, Processes and Systems | |
| DOI | https://doi.org/10.1051/epjconf/201922402009 | |
| Published online | 09 December 2019 | |
https://doi.org/10.1051/epjconf/201922402009
Hydrogen Spillover Mechanisms over a Graphite Surface
Center for Advanced Studies of Peter the Great St.Petersburg Polytechnic University, RU-195251, St.-Petersburg, Russia
* e-mail: dimvovich@narod.ru
Published online: 9 December 2019
Four different mechanisms of hydrogen spillower over carbon surface are considered in the framework of a single quantum-chemical approach. Two of them, described in the literature, are the physical migration of a bonded hydrogen atom along the surface and the edge of the graphene. One of the mechanisms proposed by the author does not include the migration of atomic hydrogen, but is realized via a transfer of carbon radical over a carbon sheet and generation of H atom in another place. Calculated activation energies of all four mechanisms are compared.
© The Authors, published by EDP Sciences, 2019
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