173 citations · 225 across the 4 of their papers we have counts for
4 papers
Electron enrichment of zigzag edges of armchair-oriented graphene nano-ribbons increases their stability and induces pinning of Fermi level
E. Louis, E. San-Fabian, G. Chiappe +1
Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during proces…
The role of potassium orbitals in the metallic behavior of K3picene
G. Chiappe, E. Louis, A. Guijarro +2
Detailed electronic structure calculations of picene clusters doped by potassium modeling the crystalline K3picene structure show that while two electrons are completely transferre…
Electronic transport and vibrational modes in the smallest molecular bridge: H2 in Pt nanocontacts
Yamila Garcia, J. J. Palacios, E. San Fabian +3
We present a state-of-the-art first-principles analysis of electronic transport in a Pt nanocontact in the presence of H2 which has been recently reported by Smit et al. in Nature…
First-principles phase-coherent transport in metallic nanotubes with realistic contacts
J. J. Palacios, A. J. Perez-Jimenez, E. Louis +2
We present first-principles calculations of phase coherent electron transport in a carbon nanotube (CNT) with realistic contacts. We focus on the zero-bias response of open metalli…