Publicaciones en colaboración con investigadores/as de Universidad Autónoma de Madrid (234)

2024

  1. Efficient computation of optical excitations in two-dimensional materials with the Xatu code

    Computer Physics Communications, Vol. 295

  2. Interrogating the CISS effect in chiral and paramagnetic organic radicals: the impact of the molecular spin over the total spin polarization

    Journal of Materials Chemistry C, Vol. 12, Núm. 30, pp. 11550-11560

  3. Magnetoconductance from spin-charge inter-conversion in two-terminal molecular nanojunctions with strong spin-orbit coupling electrodes

    Journal of Physics: Conference Series

  4. Topologically Protected Photovoltaics in Bi Nanoribbons

    Nano Letters, Vol. 24, Núm. 22, pp. 6651-6657

2023

  1. A Group-Theoretic Approach to the Origin of Chirality-Induced Spin-Selectivity in Nonmagnetic Molecular Junctions

    ACS Nano, Vol. 17, Núm. 7, pp. 6452-6465

  2. A comprehensive study of the velocity, momentum and position matrix elements for Bloch states: Application to a local orbital basis

    SciPost Physics Core, Vol. 6, Núm. 1

  3. Chiral Single-Molecule Potentiometers Based on Stapled ortho- Oligo(phenylene)ethynylenes

    Angewandte Chemie - International Edition, Vol. 62, Núm. 16

  4. Low resistance electrical contacts to few-layered MoS2 by local pressurization

    2D Materials, Vol. 10, Núm. 2

  5. Nonequilibrium Magneto-Conductance as a Manifestation of Spin Filtering in Chiral Nanojunctions

    The journal of physical chemistry letters, Vol. 14, Núm. 35, pp. 7931-7939

  6. Shift Current with Gaussian Basis Sets and General Prescription for Maximally Symmetric Summations in the Irreducible Brillouin Zone

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 24, pp. 9416-9434

  7. Theoretical Approach for Electron Dynamics and Ultrafast Spectroscopy (EDUS)

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 1, pp. 333-348

  8. Unlocking the Potential of Nanoribbon-Based Sb2S3/Sb2Se3 van-der-Waals Heterostructure for Solar-Energy-Conversion and Optoelectronics Applications

    ACS Applied Materials and Interfaces, Vol. 15, Núm. 47, pp. 54786-54796

2022

  1. Constrained DFT for Molecular Junctions

    Nanomaterials, Vol. 12, Núm. 7

  2. Deep learning for disordered topological insulators through their entanglement spectrum

    Physical Review B, Vol. 105, Núm. 15

  3. Dynamic bonding influenced by the proximity of adatoms to one atom high step edges

    Physical Review B, Vol. 106, Núm. 12

  4. Multi-scale modeling of 2D GaSe FETs with strained channels

    Nanotechnology, Vol. 33, Núm. 10

2021

  1. Charge-spin interconversion in graphene-based systems from density functional theory

    Physical Review B, Vol. 104, Núm. 23

  2. Emergence of Topological Edge States in Oxidized α-In2Se3Nanosheets: Implications for Field-Effect Transistors

    ACS Applied Nano Materials, Vol. 4, Núm. 8, pp. 8154-8161

  3. Exfoliation of Alpha-Germanium: A Covalent Diamond-Like Structure

    Advanced Materials, Vol. 33, Núm. 10

  4. Few-layer antimonene electrical properties

    Applied Materials Today, Vol. 24