Publicaciones en las que colabora con JORGE SANCHEZ DOLADO (22)

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

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

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

    Journal of Computer-Aided Materials Design