Fisicoquímica de Superficies y Nanoestructuras
University of Bordeaux
Burdeos, FranciaPublicaciones en colaboración con investigadores/as de University of Bordeaux (33)
2024
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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
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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
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Sub- and supercritical hydrothermal route for the synthesis of xonotlite nanofibers for application to green concrete materials
Journal of Supercritical Fluids, Vol. 184
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Synthesis and Addition of Al-Substituted Tobermorite Particles to Cement Pastes
Journal of Materials in Civil Engineering, Vol. 34, Núm. 12
2021
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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
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Random Force in Molecular Dynamics with Electronic Friction
Journal of Physical Chemistry C, Vol. 125, Núm. 26, pp. 14468-14473
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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
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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
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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
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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
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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
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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
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Supercritical hydrothermal flow synthesis of xonotlite nanofibers
Journal of Flow Chemistry, Vol. 8, Núm. 2, pp. 89-95
2017
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Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
Journal of Chemical Physics, Vol. 147, Núm. 12
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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
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Stereodynamics of Diatom Formation through Eley-Rideal Abstraction
Journal of Physical Chemistry C, Vol. 121, Núm. 36, pp. 19849-19858
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Ultra-Fast Supercritical Hydrothermal Synthesis of Tobermorite under Thermodynamically Metastable Conditions
Angewandte Chemie - International Edition, Vol. 56, Núm. 12, pp. 3162-3167
2016
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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
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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
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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