2007/10/17 by Fangping Ouyang, Fangping OuYang, Bing Huang +6
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.0710.3214
17 pages, 5 figures
arxiv created 2007/10/17 · openalex publication_date 2007/10/17 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Using 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.