Bogdanova D.A., Bulyarsky S.V.
THE MODIFICATION OF HOMO-LUMO GAP OF "ARMCHAIR" SINGLE-WALLED CARBON NANOTUBES UNDER THE HYDROGEN CHEMISORPTION ^{[№ 9 ' 2014]}
Regular hydrogen chemisorption on "armchair" single-walled carbon nanotubes was investigated by means of quantum chemical computer simulations. The dependence of nanotube's HOMO-LUMO gap on value of hydrogen coverage was for external and internal types of coverage.

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