Ab initio Study of the Effect of H2O Molecules Adsorption on the Semiconducting Graphene Nanoribbon

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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)