Chemical Functionalization of Graphene Nanoribbons by Carboxyl Groups on Stone-Wales Defects

Simple item page
dc.creatorOuYang, Fangping
dc.creatorHuang, Bing
dc.creatorLi, Zuanyi
dc.creatorXu, Hui
dc.date2007-10-17
dc.date.accessioned2026-07-07T08:36:49Z
dc.date.available2026-07-07T08:36:49Z
dc.descriptionUsing the density functional theory, we have demonstrated the chemical functionalization of semiconducting graphene nanoribbons (GNRs) with Stone-Wales (SW) defects by carboxyl (COOH) groups. It is found that the geometrical structures and electronic properties of the GNRs changed significantly, and the electrical conductivity of the system could be considerably enhanced by mono-adsorption and double-adsorption of COOH, which sensitively depends upon the axial concentration of SW defects COOH pairs (SWDCPs). With the increase of the axial concentration of SWDCPs, the system would transform from semiconducting behavior to p-type metallic behavior. This fact makes GNRs a possible candidate for chemical sensors and nanoelectronic devices based on graphene nanoribbons.
dc.description17 pages, 5 figures
dc.identifierhttps://arxiv.org/abs/0710.3214
dc.identifierhttp://arxiv.org/abs/0710.3214
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/140193
dc.subjectMaterials Science
dc.titleChemical Functionalization of Graphene Nanoribbons by Carboxyl Groups on Stone-Wales Defects
dc.typetext

Files

Collections

arXiv