Publications by the researcher in collaboration with Fernando Martín García (57)

2024

  1. Optoelectronic properties of electron-acceptor molecules adsorbed on graphene/silicon carbide interfaces

    Communications Materials, Vol. 5, Núm. 1

  2. Single-Molecule Conductance of Neutral Closed-Shell and Open-Shell Diradical Indenofluorenes

    Journal of the American Chemical Society

  3. 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. 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

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

    Physical Review B, Vol. 103, Núm. 19

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