514 citations · 1.8k across the 27 of their papers we have counts for
3 papers · 2 filters
Ab initio complex band structure of conjugated polymers: Effects of hydrid DFT and GW schemes
Andrea Ferretti, Giuseppe Mallia, Layla Martin-Samos +4
The non-resonant tunneling regime for charge transfer across nanojunctions is critically dependent on the so-called β parameter, governing the exponential decay of the current as t…
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…