Publicaciones en colaboración con investigadores/as de Instituto IMDEA Nanociencia (43)

2024

  1. Tailoring single-molecule conductance with structured graphene electrodes

    Applied Surface Science, Vol. 646

2022

  1. A simple model to engineer single-molecule conductance of acenes by chemical disubstitution

    Nanoscale, Vol. 14, Núm. 2, pp. 464-472

  2. Engineering the HOMO-LUMO gap of indeno[1,2-b]fluorene

    Journal of Materials Chemistry C, Vol. 10, Núm. 32, pp. 11775-11782

  3. Graphene grown on transition metal substrates: Versatile templates for organic molecules with new properties and structures

    Surface Science Reports, Vol. 77, Núm. 4

  4. Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes

    Journal of Physics Condensed Matter, Vol. 34, Núm. 43

  5. Stereodynamics effects in grazing-incidence fast-molecule diffraction

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 32, pp. 19541-19551

2021

  1. Efficient photogeneration of nonacene on nanostructured graphene

    Nanoscale Horizons, Vol. 6, Núm. 9, pp. 744-750

  2. Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001)

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 13, pp. 7768-7776

  3. Single-Molecule Conductance of 1,4-Azaborine Derivatives as Models of BN-doped PAHs

    Angewandte Chemie - International Edition, Vol. 60, Núm. 12, pp. 6609-6616

  4. Theoretical study of structural and electronic properties of 2H-phase transition metal dichalcogenides

    Physical Review B, Vol. 103, Núm. 19

2020

  1. Defect formation in a graphene overlayer on ruthenium under high pressure

    Physical Review B, Vol. 102, Núm. 7

2019

  1. Performance of van der Waals DFT approaches for helium diffraction on metal surfaces

    Journal of Physics Condensed Matter, Vol. 31, Núm. 13

  2. Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si(111) surface

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 28, pp. 15879-15887

  3. Quantum Stereodynamics of H2 Scattering from Co(0001): Influence of Reaction Channels

    Journal of Physical Chemistry C, Vol. 123, Núm. 26, pp. 16223-16231

  4. Tunable Graphene Electronics with Local Ultrahigh Pressure

    Advanced Functional Materials, Vol. 29, Núm. 8

2018

  1. Coverage evolution of the unoccupied Density of States in sulfur superstructures on Ru(0001)

    Applied Surface Science, Vol. 433, pp. 300-305

  2. Electronic Properties of Sulfur Covered Ru(0001) Surfaces

    Journal of Physical Chemistry A, Vol. 122, Núm. 8, pp. 2232-2240

  3. Graphene catalyzes the reversible formation of a C–C bond between two molecules

    Science Advances, Vol. 4, Núm. 12

  4. Thickness-Dependent Reactivity of O2 on Cu Layers Grown on Ru(0001) Surfaces

    Journal of Physical Chemistry C, Vol. 122, Núm. 27, pp. 15529-15538

2017

  1. H 2 /LiF(001) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface

    Physical Review B, Vol. 96, Núm. 20