Identification of the impurities in the alcohol-containing substances with the use of nanostructures
Автор: Panchenko A.N.
Журнал: Международный журнал гуманитарных и естественных наук @intjournal
Рубрика: Физико-математические науки
Статья в выпуске: 5-2 (68), 2022 года.
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The article presents the results of the detection of formic and acetic aldehydes in alcohol-containing liquids using carbon nanotubes (CNTs). The mechanism of the adsorption of aldehydes on the surface of nanotubulene is presented, adsorption on the carbon atom and the center of the carbon hexagon is considered. Aldehydes are detected by changing the band gap of the obtained adsorption complexes. The band gap decreases upon adsorption of aldehydes on the CNT surface. The calculations were performed within the framework of the molecular cluster model by the MNDO method.
Carbon nanotubes, formic aldehyde, acetaldehyde
Короткий адрес: https://sciup.org/170193508
IDR: 170193508