Publicaciones en las que colabora con Andrés Ayuela Fernández (25)

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

  2. Doping as a Way to Protect Silicate Chains in Calcium Silicate Hydrates

    ACS Sustainable Chemistry and Engineering, Vol. 6, Núm. 11, pp. 15015-15021

  3. Tracing Polymerization in Calcium Silicate Hydrates Using Si Isotopic Fractionation

    Journal of Physical Chemistry C, Vol. 122, Núm. 15, pp. 8356-8363

2017

  1. Quantum Nuclear Dynamics of Protons within Layered Hydroxides at High Pressure

    Scientific Reports, Vol. 7, Núm. 1

2015

  1. Effect of Nano Seeds in C-S-H Gel Formation: Simulation Study from the Colloidal Point of View

    CONCREEP 2015: Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures - Proceedings of the 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures

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

  2. Nanoscale texture development of C-S-H gel: A computational model for nucleation and growth

    Applied Physics Letters, Vol. 103, Núm. 23

2012

  1. 29Si NMR in cement: A theoretical study on calcium silicate hydrates

    Journal of Physical Chemistry C, Vol. 116, Núm. 17, pp. 9755-9761

  2. Do cement nanotubes exist?

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

  3. 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