First-principles calculations to investigate the effect of Cs-doping in BaTiO3 for water-splitting application

Author:

Usman Muhammad,Rehman Jalil UrORCID,Tahir M. Bilal,Hussain Abid

Publisher

Elsevier BV

Subject

Materials Chemistry,Condensed Matter Physics,General Chemistry

Reference33 articles.

1. Prediction of lattice constant in cubic perovskites;Jiang;J. Phys. Chem. Solid.,2006

2. First-principles calculations to investigate variation in the bandgap of NaSrF3 fluoro-perovskite with external static isotropic pressure and its impact on optical properties;Usman;Comput. Theoret. Chem.,2022

3. First-principles calculations to investigate structural, electronic and optical properties of Na based fluoroperovskites NaXF3 (X= Sr, Zn);ur Rehman;Solid State Commun.,2021

4. Structural, electronics and optical properties of sodium based fluoroperovskites NaXF3 (X= Ca, Mg, Sr and Zn): first principles calculations;Kabli;Phys. Lett.,2021

5. Investigation of structural, electronics, optical, mechanical and thermodynamic properties of YRu2P2 compound for superconducting application;Rehman;J. Supercond. Nov. Magnetism,2021

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