IFLP 13074
INSTITUTO DE FISICA LA PLATA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Theoretical-computational study of CsGeX3 (X = Cl, Br, I) perovskites and their applications for solar cells
Autor/es:
HARRY B. SALTOS SÁNCHEZ; GIL REBAZA, ARLES V.; CAPPELLETTI MARCELO; L. LIMOUSIN
Lugar:
La Plata
Reunión:
Workshop; IX Workshop on Novel Methods for Electronic Structure Calculation; 2021
Institución organizadora:
Universidad Nacional de La Plata (UNLP)
Resumen:
In this work, first-principle methods based on Density Functional Theory (DFT) were used in order to study the structural stability, electronic structure and the band-gap of the CsGeI3, CsGeBr3 and CsGeCl3. Additionally, analysis of the differences and similarities of the physical properties between the three Pb-free compounds and the Pb-containing perovskites CsPbI3 and CsPbBr3 was carried out. All calculations were performed with the Full-Potential Augmented Plane Wave method using ELK code. The results obtained from the ab-initio calculations will allow us to perform numerical simulations to optimize the efficiency of solar cells based on these Pb-free compounds, for which the SCAPS-1D software will be used.
