Publications (85) ANDRES AYUELA FERNANDEZ publications View referenced research data.

filter_list

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. GRANAD - Simulating GRAphene nanoflakes with ADatoms

    Computer Physics Communications, Vol. 317

  4. Light-Induced Reorientation Transition in an Antiferromagnetic Semiconductor

    Physical Review X, Vol. 15, Núm. 1

  5. Long-lived zone-boundary magnons in an antiferromagnet

    Nature Communications , Vol. 16, Núm. 1

  6. Momentum-locked spin between topological and defect states in 1D patterns on bilayer graphene

    Scientific Reports, Vol. 15, Núm. 1

  7. Optical and excitonic properties of calcite CaCO3

    Journal of Materials Chemistry C

  8. Optical and excitonic properties of calcite CaCO3

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

  9. Optimizing Hubbard U parameters for enhanced description of electronic and magnetic properties in CrI3 monolayers and bilayers

    Scientific Reports, Vol. 15, Núm. 1

2024

  1. Low density phases of TiO2 by cluster self-assembly

    Scientific Reports, Vol. 14, Núm. 1

  2. 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

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

    Materials Today Communications, Vol. 39

  4. Single-particle approach to many-body relaxation dynamics

    Physical Review A, Vol. 109, Núm. 2

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

    Cement and Concrete Research, Vol. 183

2023

  1. Dimerization Effects and Negative Strain Energy in Silicon Monosulfide Nanotubes

    Nanomaterials, Vol. 13, Núm. 23

  2. Magnetic order and magnetic anisotropy in two-dimensional ilmenenes

    Nanoscale Advances, Vol. 5, Núm. 10, pp. 2813-2819

  3. Publisher Correction: Localization versus delocalization of d-states within the Ni2MnGa Heusler alloy (Scientific Reports, (2022), 12, 1, (20577), 10.1038/s41598-022-23575-1)

    Scientific Reports

  4. 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

  5. Tuning Magnetoconductivity in LaMnO3 NPs through Cationic Vacancy Control

    Nanomaterials, Vol. 13, Núm. 10

  6. Wigner-Seitz truncated time-dependent density functional theory approach for the calculation of exciton binding energies in solids

    Physical Review B, Vol. 108, Núm. 23