Publicaciones (287) Publicaciones en las que ha participado algún/a investigador/a

2024

  1. A twist for tunable electronic and thermal transport properties of nanodevices

    Nanoscale, Vol. 16, Núm. 15, pp. 7504-7514

  2. Layer-dependent spin texture and origins of Rashba splitting quenching in the 2D CsPbI3 perovskite

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 20, pp. 14866-14873

  3. Size Matters in Conjugated Polymer Chirality-Selective SWCNT Extraction

    Advanced Science

2023

  1. Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

    Physical Review Materials, Vol. 7, Núm. 2

  2. High-yield and chirality-selective isolation of single-walled carbon nanotubes using conjugated polymers and small molecular chaperones

    Materials Horizons, Vol. 11, Núm. 3, pp. 758-767

  3. Mixed-Solvent Engineering as a Way around the Trade-Off between Yield and Purity of (7,3) Single-Walled Carbon Nanotubes Obtained Using Conjugated Polymer Extraction

    Small, Vol. 19, Núm. 46

  4. Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals

    Royal Society Open Science, Vol. 10, Núm. 4

  5. Nonlinear electronic stopping of negatively charged particles in liquid water

    Physical Review Research, Vol. 5, Núm. 3

  6. On-Surface Synthesis and Characterization of a High-Spin Aza-[5]-Triangulene

    Angewandte Chemie - International Edition, Vol. 62, Núm. 41

  7. Pressure-induced transitions in FePS3: Structural, magnetic and electronic properties

    SciPost Physics, Vol. 15, Núm. 1

  8. Real-space observation of ultraconfined in-plane anisotropic acoustic terahertz plasmon polaritons

    Nature Materials, Vol. 22, Núm. 7, pp. 860-866

  9. The Origin of Amphipathic Nature of Short and Thin Pristine Carbon Nanotubes—Fully Recyclable 1D Water-in-Oil Emulsion Stabilizers

    Advanced Materials Interfaces, Vol. 10, Núm. 7

  10. Understanding the partitioning behavior of single-walled carbon nanotubes using an aqueous two-phase extraction system composed of non-ionic surfactants and polymers

    Nanoscale Horizons, Vol. 8, Núm. 5, pp. 685-694

2022

  1. Ab initio electronic stationary states for nuclear projectiles in solids

    Physical Review Research, Vol. 4, Núm. 4

  2. Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor

    Radiation Physics and Chemistry, Vol. 193

  3. Computational study of h-WO3 surfaces as a semiconductor in water-splitting application

    Surfaces and Interfaces, Vol. 28

  4. Corrigendum to“Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor”[Radiat. Phys. Chem. (2022) volume 193, article number: 109961] (Radiation Physics and Chemistry (2022) 193, (S0969806X22000032), (10.1016/j.radphyschem.2022.109961))

    Radiation Physics and Chemistry

  5. Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces

    Physical Review B, Vol. 106, Núm. 9

  6. DFT exploration of adsorptive performances of borophene to small sulfur-containing gases

    Journal of Molecular Modeling, Vol. 28, Núm. 6

  7. Doping Engineering of Single-Walled Carbon Nanotubes by Nitrogen Compounds Using Basicity and Alignment

    ACS Applied Materials and Interfaces, Vol. 14, Núm. 22, pp. 25861-25877