Publications by the researcher in collaboration with JORGE SANCHEZ DOLADO (22)

2025

  1. Cl−, Na+ and Mg2+ Adsorption and Electronic Properties on 2-Octyl Acrylate and Isobornyl Acrylate Monomers: A Comprehensive DFT Study

    Polymers, Vol. 17, Núm. 6

  2. Design of improved thermoelectric and thermal energy storage properties of katoite, the stable hydration product of calcium aluminate cement

    Materials and Design, Vol. 258

  3. Optical and excitonic properties of calcite CaCO3

    Journal of Materials Chemistry C

  4. Optical and excitonic properties of calcite CaCO3

    Journal of Materials Chemistry C, Vol. 13, Núm. 12, pp. 6267-6276

2024

  1. Radiative Cooling Properties of Portlandite and Tobermorite: Two Cementitious Minerals of Great Relevance in Concrete Science and Technology

    ACS Applied Optical Materials, Vol. 2, Núm. 6, pp. 1000-1009

  2. Refractory and thermoelectric properties of stabilized Tricalcium aluminate allotrope: A first-principles calculation approach

    Materials Today Communications, Vol. 39

  3. Thermoelectric properties of the main species present in Portland cement pastes

    Cement and Concrete Research, Vol. 183

2023

  1. Theoretical Elastic Constants of Tobermorite Enhanced with Reduced Graphene Oxide through Hydroxyl vs Epoxy Functionalization: A First-Principles Study

    Journal of Physical Chemistry C, Vol. 127, Núm. 36, pp. 18117-18126

2021

  1. Interactions between reduced graphene oxide with monomers of (Calcium) silicate hydrates: A first-principles study

    Nanomaterials, Vol. 11, Núm. 9

  2. Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates

    Cement and Concrete Research, Vol. 142

2019

  1. First-Principles Calculations on Polymorphs of Dicalcium Silicate - Belite, a Main Component of Portland Cement

    Journal of Physical Chemistry C, Vol. 123, Núm. 11, pp. 6768-6777

2018

  1. A multi-scale approach for percolation transition and its application to cement setting

    Scientific Reports, Vol. 8, Núm. 1

2013

  1. 29Si chemical shift anisotropies in hydrated calcium silicates: A computational study

    Journal of Physical Chemistry C, Vol. 117, Núm. 16, pp. 8374-8380

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. Aluminum incorporation to dreierketten silicate chains

    Journal of Physical Chemistry B, Vol. 113, Núm. 9, pp. 2832-2839

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

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

  3. 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. La nanoestructura del cemento explorada madiante simulación computacional

    Revista DYNA, Vol. 82, Núm. 3, pp. 27-29

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

    Physica Status Solidi (A) Applications and Materials Science