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Title Ab initio Study of the Effect of H2O Molecules Adsorption on the Semiconducting Graphene Nanoribbon
Authors Gharami, D.
Mimi, N.S.
Ali, A.M.
Shakil, S.R.
Rhaman, M.K.
Keywords NEGF
Ab initio
Adsorption energy
Transport properties
Type Article
Date of Issue 2018
URI http://essuir.sumdu.edu.ua/handle/123456789/71380
Publisher Sumy State University
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Citation Ab initio Study of the Effect of H[2]O Molecules Adsorption on the Semiconducting Graphene Nanoribbon / D. Gharami, N.S. Mimi, A.M. Ali [et al.] // Журнал нано- та електронної фізики. - 2018. - Т.10, № 4. - 04034. - DOI: 10.21272/jnep.10(4).04034
Abstract The H2O molecules adsorption effects over electronic transport properties of Armchair Graphene Nanoribbons (A-GNR) was theoretically studied using Non Equilibrium Green Function (NEGF) formalism along with Ab initio calculation. Three different orientations and adsorption sites are considered to calculate the adsorption energies. The calculated adsorption energies for those orientations also suggest that adsorption in metallic A-GNR has much smaller effect on its transport properties.
Appears in Collections: Журнал нано- та електронної фізики (Journal of nano- and electronic physics)

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