Abstract
We investigate from first principles the optoelectronic properties of nanometer-sized armchair graphene nanoribbons GNRs. We show that many-body effects are essential to correctly describe both energy gaps and optical response. As a signature of the confined geometry, we observe strongly bound excitons dominating the optical spectra, with a clear family-dependent binding energy. Our results demonstrate that GNRs constitute one-dimensional nanostructures whose absorption and luminescence performance can be controlled by changing both family and edge termination.
Highlights
The recent discovery of stable, single-layer graphene1,2 has prompted investigation on a novel graphitic quasi-onedimensional1Dnanostructure, i.e., graphene nanoribbonsGNRs
We show that many-body effects are essential to correctly describe both energy gaps and optical response
A-GNRs are further classified into three distinct families, i.e., N = 3p − 1, N = 3p, and N = 3p + 1, with p integer, where N indicates the number of dimer lines across the ribbon width
Summary
The recent discovery of stable, single-layer graphene1,2 has prompted investigation on a novel graphitic quasi-onedimensional1Dnanostructure, i.e., graphene nanoribbonsGNRs. The electronic and optical properties of hydrogen-passivated A-GNRs are compared with those of clean-edge ribbons: including many-body effects allows us to single out the impact of this edge modification on absorption and luminescence.
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