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3D theoretical study of resonant charge exchange between H- ion and adsorbate-covered metal surface Cu(111)/Cu(110) with adsorbates Li+/Na+статья
- Авторы: Melkozerova I.A., Gainullin I.K.
- Журнал: Moscow University Physics Bulletin
- Номер: 4
- Год издания: 2023
- Издательство: Allerton Press
- Местоположение издательства: New York, N.Y., United States
- Номер статьи: 2340504
- DOI: 10.55959/MSU0579-9392.79.2340504
- Аннотация: The influence of the surface type on resonant charge exchange between H- ion with a metal surfaces Cu(111) and Cu(110) covered by adsorbate Li+/Na+ has been studied. A model static problem was considered. For modeling, a three-dimensional realization of the wave-packet propagation method was used. The Cu(110) and Cu(111) surfaces were described by a pseudopotential, derived from a density functional theory (DFT). An occupation of H- ion, an electron density dynamics and an ion level width were analyzed. As a result, we obtained that an electron oscillates more in case of the surface Cu(111). Furthermore, the resonant charge exchange is more efficient for Cu(111) surface.
- Добавил в систему: Гайнуллин Иван Камилевич