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3D Theoretical Study of Resonant Charge Exchange Between H– Ion and Al(001) Surface Covered with Li+/Na+ Adsorbateстатья
- Авторы: Melkozerova J.A., Gainullin I.K.
- Журнал: Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques
- Номер: 12
- Год издания: 2022
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 1175
- Последняя страница: 1182
- DOI: 10.1134/S1027451022060143
- Аннотация: The features of the resonant charge exchange between the H– ion and the Al (001) surface covered with Li+/Na+ adsorbate were studied. For modeling, a three-dimensional realization of the wave-packet propagation method was used. The Al(001) surface was described by a pseudopotential derived using the density functional theory. A model static problem was considered. As a the result of the analysis of the occupancy function of the H– ion, the electron density dynamics, and the tunneling rate, it was found that there were periods of time when the electron tunneled back from the adsorbate to the ion.
- Добавил в систему: Гайнуллин Иван Камилевич