Interaction of hydrogen atoms with planar boron

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In this article, the interaction of planar boron structures with hydrogen atoms is considered, theoretical and experimental information on bond characteristics, modifications of the electronic structure and potential applications are considered. Theoretically, it is shown that there are two interactions: physical and chemical adsorption of a hydrogen atom on the surface of planar boron. The adsorption process in five different arrangements of the hydrogen atom above the layer is considered. The deformation of a flat boron layer during chemical adsorption of a hydrogen atom is shown. Studying these interactions is crucial for progress in hydrogen storage, catalysis, and the production of new materials.

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Метод pm6

Короткий адрес: https://sciup.org/170205288

IDR: 170205288   |   DOI: 10.24412/2500-1000-2024-5-5-122-125

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