Browsing by Author "Artacho, Emilio"
Now showing items 25-26 of 26
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Van der Waals interaction in magnetic bilayer graphene nanoribbons
(2012-06-15)We study the interaction energy between two graphene nanoribbons by first-principles calculations, including van der Waals interactions and spin polarization. For ultranarrow zigzag nanoribbons, the direct stacking is even ... -
Water radiolysis by low-energy carbon projectiles from first-principles molecular dynamics
(PLOS, 2017-03-07)Water radiolysis by low-energy carbon projectiles is studied by first-principles molecular dynamics. Carbon projectiles of kinetic energies between 175 eV and 2.8 keV are shot across liquid water. Apart from translational, ...
