A comparative study of experimental (optical and electrochemical) and computational band gap for LaNiO۳ perovskite oxide

LaNiO۳ perovskite oxide was synthesized via a sol-gel procedure. The synthesized perovskite oxide powder was physically and electrochemically characterized using XRD, SEM, DRS, and CV analyses. The results showed that a single perovskite phase of LaNiO۳ with a high surface area and spherical-like shape was obtained. CV and DRS analyses were conducted to determine the Optical and electrochemical band gap of the LaNiO۳ perovskite oxide. The results evidenced that the electrochemical band gap (۳.۴ eV) is higher than the optical band gap (۱.۹۷ eV). According to DFT calculations, LaNiO۳ is a metallic perovskite oxide with a zero band gap. These findings can be very helpful in designing some energy conversion/storage devices like solar cells and light-emitting diodes.

کلیدواژه ها:

Perovskite oxide ، LaNiO۳ ، sol-gel ، DRS ، CV ، DFT ، Band gap