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cond-mat.mes-hall2012★ 1 cited
Molecular adsorption study of nicotine and caffeine on the single-walled carbon nanotube from first principles
Hyung-June Lee, Gunn Kim, Young-Kyun Kwon
Using first-principles calculations, we investigate the electronic structures and binding properties of nicotine and caffeine adsorbed on single-walled carbon nanotubes to determin…
cond-mat.mes-hall2012★ 3 cited
Adsorption properties of a nitrogen atom on the anionic golden fullerene Au
Gunn Kim, Chan-young Lim, Seoung-Hun Kang +1
Using density functional theory, we examine a nitrogen-doped anionic golden cage (NAu). For the exohedral adsorption that is more stable than the endohedral doping, the br…