Publicaciones en colaboración con investigadoras/es de Chalmers University of Technology (28)

2023

  1. Link between interlayer hybridization and ultrafast charge transfer in WS2-graphene heterostructures

    2D Materials, Vol. 10, Núm. 3

  2. Tuning the carrier injection barrier of hybrid metal-organic interfaces on rare earth-gold surface compounds

    Nanoscale, Vol. 15, Núm. 8, pp. 4090-4100

2022

  1. A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity

    Journal of Chemical Physics, Vol. 156, Núm. 23

  2. Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

    Nature Communications, Vol. 13, Núm. 1

  3. Simulating Terahertz Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO3

    Physical Review Letters, Vol. 129, Núm. 16

2021

  1. Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light–matter coupling

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 118, Núm. 41

  2. Polymorphism in Non-Fullerene Acceptors Based on Indacenodithienothiophene

    Advanced Functional Materials, Vol. 31, Núm. 29

2020

  1. Interphase Design of Cellulose Nanocrystals/Poly(hydroxybutyrate- ran-valerate) Bionanocomposites for Mechanical and Thermal Properties Tuning

    Biomacromolecules, Vol. 21, Núm. 5, pp. 1892-1901

2019

  1. Nine questions on energy decomposition analysis

    Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283

2017

  1. Libvdwxc: A library for exchange-correlation functionals in the vdW-DF family

    Modelling and Simulation in Materials Science and Engineering, Vol. 25, Núm. 6

  2. Strain Dependent Light-off Temperature in Catalysis Revealed by Planar Laser-Induced Fluorescence

    ACS Catalysis, Vol. 7, Núm. 1, pp. 110-114

2015

  1. Graphene spintronics: The European Flagship perspective

    2D Materials, Vol. 2, Núm. 3

  2. Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

    Physical Review B - Condensed Matter and Materials Physics, Vol. 91, Núm. 11

  3. Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems

    Nanoscale, Vol. 7, Núm. 11, pp. 4598-4810

2010

  1. Photoelectron driven acoustic surface plasmons in p(2×2) K/Be(0001): Ab initio calculations

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 11

2006

  1. Water dynamics in n-propylene glycol aqueous solutions

    Journal of Chemical Physics, Vol. 124, Núm. 19

2003

  1. Lifetime of holes and electrons at metal surfaces; electron-phonon coupling

    Journal of Electron Spectroscopy and Related Phenomena, Vol. 129, Núm. 2-3, pp. 97-104

  2. Phonon mediated image state electron decay at metal surfaces

    Journal of Electron Spectroscopy and Related Phenomena, Vol. 129, Núm. 2-3, pp. 111-116

  3. Phonon-mediated decay of metal surface states

    Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 23

2002

  1. Role of bulk and surface phonons in the decay of metal surface states

    Physical Review Letters, Vol. 88, Núm. 6, pp. 66805/1-66805/4