Publicaciones (379) Publicaciones en las que ha participado algún/a investigador/a

2024

  1. A comparative study of the high-pressure structural stability of zirconolite materials for nuclear waste immobilisation

    Results in Physics, Vol. 61

  2. Coprecipitation synthesis, characterization and density functional theory study of CaX2O4 (X: Al, Cr) spinel nanocrystallites

    Bulletin of Materials Science, Vol. 47, Núm. 3

  3. Electron-deficient multicenter bonding in pnictogens and chalcogens: mechanism of formation

    Journal of Materials Chemistry C, Vol. 12, Núm. 28, pp. 10447-10474

  4. Energy efficiency and performance analysis of a legacy atomic scale materials modeling simulator (VASP)

    Journal of Supercomputing, Vol. 80, Núm. 11, pp. 16679-16702

  5. High-Pressure Behavior of Ca2SnO4, Sr2SnO4, and Zn2SnO4

    Journal of Physical Chemistry C, Vol. 128, Núm. 3, pp. 1357-1367

  6. High-pressure polymorph of Co3P2O8: phase transition to an olivine-related structure

    Dalton Transactions, Vol. 53, Núm. 34, pp. 14278-14288

  7. High-pressure properties of thallium orthovanadate from density-functional theory calculations

    Journal of Alloys and Compounds, Vol. 978

  8. Orthorhombic lead-free hybrid perovskite CH3NH3SnI3 under strain: an ab initio study

    RSC Advances, Vol. 14, Núm. 28, pp. 19880-19890

  9. PbV2O6 under compression: near zero-linear compressibility and pressure-induced change in vanadium coordination

    Dalton Transactions, Vol. 53, Núm. 27, pp. 11490-11499

  10. Poly(dicarbon monofluoride) (C2F)n bridges the neutron reflectivity gap

    Carbon, Vol. 227

  11. Pressure Behavior of the Zero Thermal Expansion Material Sc1.5Al0.5W3O12

    Chemistry of Materials, Vol. 36, Núm. 5, pp. 2259-2268

  12. Pressure-Dependent Lattice Dynamics and Electronic Structure of Scheelite-Type AgReO4

    Journal of Physical Chemistry C, Vol. 128, Núm. 22, pp. 9300-9310

  13. Pyramidal inversion in the solid state

    Inorganic Chemistry Frontiers

  14. Role of GdO addition in the structural stability of cubic Gd2O3 at high pressures: Determination of the equation of states of GdO and Gd2O3

    Materialia, Vol. 34

  15. Size-Dependent High-Pressure Behavior of Pure and Eu3+-Doped Y2O3 Nanoparticles: Insights from Experimental and Theoretical Investigations

    Nanomaterials, Vol. 14, Núm. 8

  16. Structural instability in LaNbO4 under compression

    Journal of Applied Physics, Vol. 135, Núm. 3

  17. Supersensitive visual pressure sensor based on the exciton luminescence of a perovskite material

    Materials Horizons

2023

  1. Ab Initio Theoretical Study of DyScO3 at High Pressure

    Crystals, Vol. 13, Núm. 2

  2. Accurate Determination of the Bandgap Energy of the Rare-Earth Niobate Series

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 7, pp. 1762-1768

  3. Exploration of Metal-Metal Charge Transfer (MMCT) and its Effect in Generating New Colored Compounds in Mixed Metal Oxides

    European Journal of Inorganic Chemistry, Vol. 26, Núm. 34