Ab initio study of the effect of H2O molecules adsorption on the semiconducting graphene nanoribbon

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bracu.type.groupResearch Publications
datacite.rightsOpen Access
dc.contributor.authorGharami, D.
dc.contributor.authorMimi N.S.
dc.contributor.authorAli A.M.
dc.contributor.authorShakil S.R.
dc.contributor.authorRhaman M.K.
dc.date.accessioned2026-09-13T05:21:40Z
dc.date.available2026-09-13T05:21:40Z
dc.date.issued2018-01-01
dc.description.abstractThe 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.
dc.description.versionPublished
dc.format.extent3 pages
dc.identifier.citationGharami, D., Mimi, N. S., Ali, A. M., Shakil, S. R., & Rhaman, M. K. (2018). Ab initio study of the effect of H2O molecules adsorption on the semiconducting graphene nanoribbon. Journal of Nano- and Electronic Physics, 10(4), Article 04034. https://doi.org/10.21272/jnep.10(4).04034
dc.identifier.doi10.21272/jnep.10(4).04034
dc.identifier.issn20776772
dc.identifier.other2-s2.0-85052444877
dc.identifier.urihttps://hdl.handle.net/10361/29852
dc.language.isoen_US
dc.publisherSumy State University
dc.relation.hasversion10.21272/jnep.10(4).04034
dc.relation.ispartofJournal of Nano and Electronic Physics
dc.relation.ispartofseriesJournal of Nano and Electronic Physics
dc.relation.journalJournal of Nano- and Electronic Physics
dc.relation.urihttps://jnep.sumdu.edu.ua/en/full_article/2561
dc.subjectAb initio
dc.subjectAdsorption energy
dc.subjectNEGF
dc.subjectTransport properties
dc.subject.lcshGraphene--Electric properties.
dc.subject.lcshNanotechnology.
dc.subject.lcshQuantum chemistry.
dc.titleAb initio study of the effect of H2O molecules adsorption on the semiconducting graphene nanoribbon
dc.typeArticle
oaire.citation.issue4
oaire.citation.volume10
person.affiliation.nameBRAC University
person.affiliation.nameBRAC University
person.affiliation.nameBRAC University
person.affiliation.nameBRAC University
person.affiliation.nameBRAC University
person.identifier.scopus-author-id57203617241
person.identifier.scopus-author-id57203623483
person.identifier.scopus-author-id58269401600
person.identifier.scopus-author-id56073837200
person.identifier.scopus-author-id26639807800

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