Publications in collaboration with researchers from Lancaster University (53)

2016

  1. Solvent Dependence of the Single Molecule Conductance of Oligoyne-Based Molecular Wires

    Journal of Physical Chemistry C, Vol. 120, Núm. 29, pp. 15666-15674

  2. Synthesis and Single-Molecule Conductance Study of Redox-Active Ruthenium Complexes with Pyridyl and Dihydrobenzo[b]thiophene Anchoring Groups

    Chemistry - A European Journal, Vol. 22, Núm. 36, pp. 12732-12740

2014

  1. GOLLUM: A next-generation simulation tool for electron, thermal and spin transport

    New Journal of Physics, Vol. 16

  2. Graphene sculpturene nanopores for DNA nucleobase sensing

    Journal of Physical Chemistry B, Vol. 118, Núm. 24, pp. 6908-6914

  3. Redox control of thermopower and figure of merit in phase-coherent molecular wires

    Nanotechnology, Vol. 25, Núm. 20

2013

  1. Impact of Fano and Breit-Wigner resonances in the thermoelectric properties of nanoscale junctions

    Physical Review B - Condensed Matter and Materials Physics, Vol. 88, Núm. 23

  2. Intrinsic magnetism in nanosheets of SnO2: A first-principles study

    Journal of Magnetism and Magnetic Materials, Vol. 328, pp. 104-108

  3. Stabilizing intrinsic defects in SnO2

    Physical Review B - Condensed Matter and Materials Physics, Vol. 87, Núm. 20

  4. Symmetry-induced quantum interference effects in metalloporphyrin wires

    Journal of Physics Condensed Matter, Vol. 25, Núm. 32

  5. Universality in the low-voltage transport response of molecular wires physisorbed onto graphene electrodes

    Physical Review B - Condensed Matter and Materials Physics, Vol. 87, Núm. 23

2012

  1. Charge and spin transport properties of Mo 2X 2 (X = Fe,Co,Ni) molecular contacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 22

  2. Correlations between molecular structure and single-junction conductance: A case study with oligo(phenylene-ethynylene)-type wires

    Journal of the American Chemical Society, Vol. 134, Núm. 11, pp. 5262-5275

  3. Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

    Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 19

  4. Nonequilibrium transport response from equilibrium transport theory

    Physical Review B - Condensed Matter and Materials Physics, Vol. 86, Núm. 12

2011

  1. First-principles scheme for spectral adjustment in nanoscale transport

    New Journal of Physics, Vol. 13

  2. Long-range electron tunnelling in oligo-porphyrin molecular wires

    Nature Nanotechnology, Vol. 6, Núm. 8, pp. 517-523

  3. Quantum interference in single molecule electronic systems

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 7

  4. Structure and electronic properties of molybdenum monatomic wires encapsulated in carbon nanotubes

    Journal of Physics Condensed Matter, Vol. 23, Núm. 26

2010

  1. Current rectification in molecular junctions produced by local potential fields

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 8

  2. Effects of bonding type and interface geometry on coherent transport through the single-molecule magnet Mn12

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 12