Publications (40) RUTH ALVAREZ URIA FRANCO publications

2024

  1. Atomic contributions to ZnO mechanical properties at negative and positive pressures

    Results in Physics, Vol. 60

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

    Journal of Alloys and Compounds, Vol. 978

  3. Janus ScYCBr2 MXene as a Promising Thermoelectric Material

    ACS Applied Energy Materials, Vol. 7, Núm. 15, pp. 6598-6611

  4. Tuning the electronic properties of asymmetric YZrCOF MXene for water splitting applications: an ab initio study

    Dalton Transactions, Vol. 53, Núm. 9, pp. 4266-4277

  5. Videos tutoriales: una herramienta para el aprendizaje autónomo en laboratorios de química e ingeniería química

    Nuevos ecosistemas de aprendizaje: Innovaciones y experiencias educativas (Octaedro), pp. 81-95

2023

  1. Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy

    Dalton Transactions, Vol. 52, Núm. 34, pp. 11965-11980

  2. Preference for a pressure-induced 3D structure after 1T-HfSe2

    Materials Today Physics, Vol. 36

2022

  1. Pressure and temperature stability boundaries of cubic SiC polymorphs: a first-principles investigation

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 26, pp. 16228-16236

2021

  1. Pressure-Driven Metallization in Hafnium Diselenide

    Inorganic Chemistry, Vol. 60, Núm. 3, pp. 1746-1754

  2. Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3Perovskite

    Journal of Physical Chemistry C, Vol. 125, Núm. 1, pp. 107-119

2020

  1. Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4by means of first-principles calculations

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 38, pp. 21909-21918

2019

  1. Computational modeling of tensile stress effects on the structure and stability of prototypical covalent and layered materials

    Nanomaterials, Vol. 9, Núm. 10

2018

  1. Quantum-mechanical simulations of pressure effects on MgIn2S4 polymorphs

    Phase Transitions, Vol. 91, Núm. 7, pp. 759-771

2017

  1. Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 34, pp. 22887-22894

2016

  1. Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 11, pp. 8132-8139

2014

  1. Microscopic partition of pressure and elastic constants in CdTe polymorphs

    Journal of Alloys and Compounds, Vol. 592, pp. 150-156

2009

  1. Theoretical investigation of the inversion parameter in Co3 - sAlsO4 (s = 0-3) spinel structures

    Solid State Ionics, Vol. 180, Núm. 14-16, pp. 1011-1016

2008

  1. Cation distributions on CoAl2O4 and Co 2AlO4 spinels: Pressure and temperature effects

    High Pressure Research

2006

  1. Periodic DFT study of the structural and electronic properties of bulk CoAl2O4 spinel

    Journal of Physical Chemistry B, Vol. 110, Núm. 2, pp. 988-995

2003

  1. Theoretical compressibilities of high-pressure ZnTe polymorphs

    Physical Review B - Condensed Matter and Materials Physics, Vol. 68, Núm. 19