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Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions
Caterina Cocchi, Deborah Prezzi, Alice Ruini +2
The effects of edge covalent functionalization on the structural, electronic and optical properties of elongated armchair graphene nanoflakes (AGNFs) are analyzed in detail for a w…
Designing all-graphene nanojunctions by covalent functionalization
Caterina Cocchi, Alice Ruini, Deborah Prezzi +2
We investigated theoretically the effect of covalent edge functionalization, with organic functional groups, on the electronic properties of graphene nanostructures and nano-juncti…
Optical Excitations and Field Enhancement in Short Graphene Nanoribbons
Caterina Cocchi, Deborah Prezzi, Alice Ruini +4
The optical excitations of elongated graphene nanoflakes of finite length are investigated theoretically through quantum chemistry semi-empirical approaches. The spectra and the re…