Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (18)

2024

  1. Red-Light Photocatalytic Activation Of Pt(IV) Anticancer Prodrugs Using Methylene Blue

    ChemRxiv

2022

  1. Halogen-free photosensitizers based on meso-enamine-BODIPYs for bioimaging and photodynamic therapy

    Journal of Materials Chemistry B, Vol. 11, Núm. 1, pp. 169-179

2021

  1. A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale

    Cement and Concrete Research, Vol. 142

  2. Enhancing the Photocatalytic Conversion of Pt(IV) Substrates by Flavoprotein Engineering

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 19, pp. 4504-4508

  3. Molecular dynamics and experimental study on the adhesion mechanism of polyvinyl alcohol (PVA) fiber in alkali-activated slag/fly ash

    Cement and Concrete Research, Vol. 145

  4. New Kinetic Monte Carlo Model to Study the Dissolution of Quartz

    ACS Earth and Space Chemistry, Vol. 5, Núm. 3, pp. 516-524

2020

  1. Flavin bioorthogonal photocatalysis toward platinum substrates

    ACS Catalysis, Vol. 10, Núm. 1, pp. 187-196

  2. Kimera: A kinetic montecarlo code for mineral dissolution

    Minerals, Vol. 10, Núm. 9, pp. 1-17

  3. THz fingerprints of cement-based materials

    Materials, Vol. 13, Núm. 18

2019

  1. Mechanisms and Dynamics of Mineral Dissolution: A New Kinetic Monte Carlo Model

    Advanced Theory and Simulations, Vol. 2, Núm. 10

2018

  1. Benchmark of ReaxFF force field for subcritical and supercritical water

    Journal of Chemical Physics, Vol. 148, Núm. 23

2015

  1. Effect of chemical environment on the dynamics of water confined in calcium silicate minerals: Natural and synthetic tobermorite

    Langmuir, Vol. 31, Núm. 17, pp. 4964-4972

2012

  1. Do cement nanotubes exist?

    Advanced Materials, Vol. 24, Núm. 24, pp. 3239-3245

  2. Ettringite strengthening at high pressures induced by the densification of the hydrogen bond network

    Journal of Physical Chemistry C, Vol. 116, Núm. 30, pp. 16138-16143

2009

  1. Elastic properties of the main species present in Portland cement pastes

    Acta Materialia, Vol. 57, Núm. 5, pp. 1666-1674

  2. Structural, mechanical, and reactivity properties of tricalcium aluminate using first-principles calculations

    Journal of the American Ceramic Society, Vol. 92, Núm. 4, pp. 897-902

2007

  1. Mechanical properties of crystalline calcium-silicate-hydrates: Comparison with cementitious C-S-H gels

    Physica Status Solidi (A) Applications and Materials Science

  2. On the formation of cementitious C-S-H nanoparticles

    Journal of Computer-Aided Materials Design