Density functional theory calculations on the metal–ligand complexes of ba2+, y3+ and zr4+ with citric acid, ethylenediaminetetraacetic acid and triethylenetetraamine / Nor Ain Fathihah Abdullah

• Main Author: Abdullah, Nor Ain Fathihah
• Format: Thesis
• Language: English
• Published: 2018
• Online Access: https://ir.uitm.edu.my/id/eprint/89293/1/89293.pdf; https://ir.uitm.edu.my/id/eprint/89293/
• Institution: Universiti Teknologi Mara

Perovskite has been studied intensively due to its potentials in many technology–related applications such as in electrochemical devices. The effect of chelating agents was previously studied in one pot synthesis of yttrium doped barium zirconate (BZY). In this theoretical study, quantum mechanical...