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Information × Registration Number 2114U000907, Article popup.category Стаття Title popup.author popup.publication 01-01-2014 popup.source_user Сумський державний університет popup.source http://essuir.sumdu.edu.ua/handle/123456789/36108 popup.publisher Sumy State University Description In this paper we present the results of theoretical research into the properties of two types of boron -carbon nanotubes (BCNTs) within the framework of an ionic-built covalent-cyclic cluster model and an ap-propriately modified MNDO quantum chemical scheme. We studied the mechanism of Li, K and Na atoms sorption on the external surface of single-walled BC3 zig-zag nanotubes. We defined the optimal geometry of the sorption complexes and obtained the sorption energy values. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/36108 popup.nrat_date 2025-03-24 Close