Publicaciones (382) 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. Lattice dynamics and vibrational properties of scheelite-type alkali-metal perrhenates

    Journal of physics. Condensed matter : an Institute of Physics journal, Vol. 36, Núm. 50

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

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

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

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

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

    Carbon, Vol. 227

  12. Preparation, electrical properties, ab initio calculations and sodium motion in NaNi2As3O10 crystal structure

    Journal of Alloys and Compounds, Vol. 1008

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

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

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

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

  15. Pyramidal inversion in the solid state

    Inorganic Chemistry Frontiers, Vol. 11, Núm. 19, pp. 6316-6325

  16. 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

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

    Nanomaterials, Vol. 14, Núm. 8

  18. Structural instability in LaNbO4 under compression

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

  19. Super-Sensitive Multi-Modal Optical Manometer Based on Huge Pressure-Induced Spectral Red-Shift and Broadening of Mn2+ Emission Band in Green-Emitting Zn2GeO4 Phosphors

    Advanced Optical Materials

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

    Materials Horizons