Publications en collaboration avec des chercheurs de University of Bordeaux (33)

2024

  1. Cool Concrete Incorporating Carbonated Periwinkle Shell: A Sustainable Solution for Mitigating Urban Heat Island Effects

    ACS Sustainable Chemistry and Engineering, Vol. 12, Núm. 5, pp. 1911-1917

2022

  1. H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 35, pp. 20813-20819

  2. Sub- and supercritical hydrothermal route for the synthesis of xonotlite nanofibers for application to green concrete materials

    Journal of Supercritical Fluids, Vol. 184

  3. Synthesis and Addition of Al-Substituted Tobermorite Particles to Cement Pastes

    Journal of Materials in Civil Engineering, Vol. 34, Núm. 12

2021

  1. Correlation between the Dynamics of Nanoconfined Water and the Local Chemical Environment in Calcium Silicate Hydrate Nanominerals

    Chemistry - A European Journal, Vol. 27, Núm. 44, pp. 11309-11318

  2. Random Force in Molecular Dynamics with Electronic Friction

    Journal of Physical Chemistry C, Vol. 125, Núm. 26, pp. 14468-14473

  3. Translational Inelasticity of Hydrogen Atoms Scattering off Hydrogen-Covered W(110) Surfaces

    Journal of Physical Chemistry C, Vol. 125, Núm. 25, pp. 14075-14081

2020

  1. When classical trajectories get to quantum accuracy: II. The scattering of rotationally excited H2on Pd(111)

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 39, pp. 22805-22814

2019

  1. Energy Dissipation Effects on the Adsorption Dynamics of N 2 on W(100)

    Journal of Physical Chemistry C, Vol. 123, Núm. 5, pp. 2900-2910

  2. When Classical Trajectories Get to Quantum Accuracy: The Scattering of H2 on Pd(111)

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 24, pp. 7629-7635

2018

  1. Dynamics of N2 sticking on W(100): The decisive role of van der Waals interactions

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 29, pp. 19326-19331

  2. Energy dissipation to tungsten surfaces upon hot-atom and Eley-Rideal recombination of H2

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 33, pp. 21334-21344

  3. Supercritical hydrothermal flow synthesis of xonotlite nanofibers

    Journal of Flow Chemistry, Vol. 8, Núm. 2, pp. 89-95

2017

  1. Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

    Journal of Chemical Physics, Vol. 147, Núm. 12

  2. Hydrogen abstraction from metal surfaces: When electron-hole pair excitations strongly affect hot-atom recombination

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 46, pp. 31378-31383

  3. Stereodynamics of Diatom Formation through Eley-Rideal Abstraction

    Journal of Physical Chemistry C, Vol. 121, Núm. 36, pp. 19849-19858

  4. Ultra-Fast Supercritical Hydrothermal Synthesis of Tobermorite under Thermodynamically Metastable Conditions

    Angewandte Chemie - International Edition, Vol. 56, Núm. 12, pp. 3162-3167

2016

  1. Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model

    Journal of Chemical Physics, Vol. 144, Núm. 24

2015

  1. Assessment of density-functional tight-binding ionization potentials and electron affinities of molecules of interest for organic solar cells against first-principles GW calculations

    Computation, Vol. 3, Núm. 4, pp. 616-656

  2. Energy Dissipation to Tungsten Surfaces upon Eley-Rideal Recombination of N2 and H2

    Journal of Physical Chemistry C, Vol. 119, Núm. 27, pp. 15434-15442