Publication of a Scientific Research within Scopus Index

2023-06-08

Dr. Younus K. Jabur, a researcher at the Renewable Energy Research Center – University of Anbar in cooperation with researchers. Publish a scientific article in scientific journal “Materials Research" that has Scopus index titled:

"Density Functional Theory Study of Metal-Organic Frameworks for Enhancement of Photo-Anode Properties"

This scientific article explored the optoelectronic properties of dye zinc and titanium-based metal-organic framework (MOF) compounds for solar cell applications. By analyzing the MOF single crystal unit cell with adsorbed dye, researchers determined the electronic and optical characteristics using density functional theory (DFT) calculations. The results indicated light absorption across the near UV to visible blue range, with optical band gaps ranging from 2.8 eV to 3.88 eV. Sensitizing MOFs with eosin Y or crown ether enhanced their UV-Vis spectra, suggesting improved band gap and electron injection. Additionally, the absorption depended on both linkers and metal atoms. The study highlights MOFs' potential as electrodes, photoactive materials, charge carriers, and additives in diverse solar cell applications.

Publication detail

https://www.scielo.br/j/mr/a/z3VHTmg8qhKbL7Pw4KjGWBM/?lang=en