230 citations · 709 across the 12 of their papers we have counts for
12 papers
High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: The case of graphene-metal interfaces
Carlos Romero-Muñiz, Ayako Nakata, Pablo Pou +3
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its a…
Conformation And Mechanical Response of Spray Deposited Single Strand DNA on Gold
Remy Pawlak, J. G. Vilhena, Antoine Hinaut +7
Single molecule force spectroscopy of DNA strands adsorbed at surfaces is a powerful technique used in air or liquid environments to quantify their mechanical properties. Although…
Point defects on graphene on metals
M. M. Ugeda, D. Fernández-Torre, I. Brihuega +4
Understanding the coupling of graphene with its local environment is critical to be able to integrate it in tomorrow's electronic devices. Here we show how the presence of a metall…
An upper bound for the magnetic force gradient in graphite
David Martinez-Martin, Miriam Jaafar, Ruben Perez +2
Cervenka et al. have recently reported ferromagnetism along graphite steps. We present Magnetic Force microscopy (MFM) data showing that the signal along the steps is independent o…
H dissociation over Au-nanowires and the fractional conductance quantum
Pavel Jelinek, Ruben Perez, Jose Ortega +1
The dissociation of H molecules on stretched Au nanowires and its effect on the nanowire conductance are analyzed using a combination of Density Functional (DFT) total energy c…
Ga-induced atom wire formation and passivation of stepped Si(112)
P. C. Snijders, C. Gonzalez, S. Rogge +4
We present an in-depth analysis of the atomic and electronic structure of the quasi one-dimensional (1D) surface reconstruction of Ga on Si(112) based on Scanning Tunneling Microsc…