Optical properties of graphene nanoflakes: Shape matters.
In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries.
Instituto de Investigaciones Fisicoquímicas de Córdoba, Consejo Nacional de Investigaciones Científicas y Técnicas (INFIQC - CONICET), Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba X5000HUA, Argentina.
Candela
C
Mansilla Wettstein
Instituto de Investigaciones Fisicoquímicas de Córdoba, Consejo Nacional de Investigaciones Científicas y Técnicas (INFIQC - CONICET), Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba X5000HUA, Argentina.
Franco P
FP
Bonafé
Department of Chemical & Environmental Engineering and Materials Science and Engineering Program, University of California, Riverside, California 92521, USA.
M Belén
MB
Oviedo
Instituto de Investigaciones Fisicoquímicas de Córdoba, Consejo Nacional de Investigaciones Científicas y Técnicas (INFIQC - CONICET), Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba X5000HUA, Argentina.
Cristián G
CG
Sánchez