Geometry, reactivity descriptors, light harvesting efficiency, molecular radii, diffusion coefficient, and oxidation potential of RE(I)(CO)3Cl(TPA-2, 2′-bipyridine) in DSSC application: DFT/TDDFT study.

Autor: Tegegn, Dereje Fedasa¹ (AUTHOR) derejefedasakiya@gmail.com, Belachew, Habtamu Zewude¹ (AUTHOR), Wirtu, Shuma Fayera¹ (AUTHOR), Salau, Ayodeji Olalekan^2,3 (AUTHOR) ayodejisalau98@gmail.com

Publikováno v: BMC Chemistry. 6/10/2024, Vol. 18 Issue 1, p1-9. 9p.

Geometry, reactivity descriptors, light harvesting efficiency, molecular radii, diffusion coefficient, and oxidation potential of RE(I)(CO) 3 Cl(TPA-2, 2'-bipyridine) in DSSC application: DFT/TDDFT study.

Autor: Tegegn DF; Department of Chemistry, College of Natural and Computational Science, Dambi Dollo University, P. O. Box. 260, Dambi Dollo, Oromia, Ethiopia. derejefedasakiya@gmail.com., Belachew HZ; Department of Chemistry, College of Natural and Computational Science, Dambi Dollo University, P. O. Box. 260, Dambi Dollo, Oromia, Ethiopia., Wirtu SF; Department of Chemistry, College of Natural and Computational Science, Dambi Dollo University, P. O. Box. 260, Dambi Dollo, Oromia, Ethiopia., Salau AO; Department of Electrical/Electronics and Computer Engineering, Afe Babalola University, Ado-Ekiti, Nigeria. ayodejisalau98@gmail.com.; Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences, Chennai, Tamil Nadu, India. ayodejisalau98@gmail.com.

Publikováno v: BMC chemistry [BMC Chem] 2024 Jun 10; Vol. 18 (1), pp. 110. Date of Electronic Publication: 2024 Jun 10.