Publications in collaboration with researchers from Instituto de Ciencia de Materiales de Barcelona (17)

2024

  1. The Role of Rare-Earth Atoms in the Anisotropy and Antiferromagnetic Exchange Coupling at a Hybrid Metal–Organic Interface

    Small

2019

  1. Coexistence of Elastic Modulations in the Charge Density Wave State of 2 H-NbSe 2

    Nano Letters, Vol. 19, Núm. 5, pp. 3027-3032

2017

  1. Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA

    Computer Physics Communications, Vol. 212, pp. 8-24

2014

  1. Spin transport in dangling-bond wires on doped H-passivated Si(100)

    Nanotechnology, Vol. 25, Núm. 46

2012

  1. Chiral conformation at a molecular level of a propeller-like open-shell molecule on Au(111)

    Journal of Physical Chemistry Letters, Vol. 3, Núm. 11, pp. 1559-1564

2010

  1. Magnetic transitions induced by tunneling electrons in individual adsorbed M -phthalocyanine molecules (M=Fe and Co)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 16

  2. Quenching of magnetic excitations in single adsorbates at surfaces: Mn on CuN/Cu(100)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 82, Núm. 15

2009

  1. Exploring the tilt-angle dependence of electron tunneling across molecular junctions of self-assembled alkanethiols

    ACS Nano, Vol. 3, Núm. 8, pp. 2073-2080

  2. Heating electrons with ion irradiation: A first-principles approach

    Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 267, Núm. 4, pp. 590-593

  3. Optimal strictly localized basis sets for noble metal surfaces

    Physical Review B - Condensed Matter and Materials Physics, Vol. 79, Núm. 7

2008

  1. Decisive role of the energetics of dissociation products in the adsorption of water on O/Ru(0001)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 15

  2. Reducing the molecule-substrate coupling in C60-based nanostructures by molecular interactions

    Physical Review Letters, Vol. 100, Núm. 3

2007

  1. Electronic stopping power in LiF from first principles

    Physical Review Letters, Vol. 99, Núm. 23

  2. Water adsorption on O (2×2) Ru (0001): STM experiments and first-principles calculations

    Physical Review B - Condensed Matter and Materials Physics, Vol. 76, Núm. 20

2006

  1. Electron transport via local polarons at interface atoms

    Physical Review Letters, Vol. 97, Núm. 20

2005

  1. Comment on "molecular distortions and chemical bonding of a large π-conjugated molecule on a metal surface"

    Physical Review Letters

2003

  1. Selectivity in vibrationally mediated single-molecule chemistry

    Nature, Vol. 423, Núm. 6939, pp. 525-528