Search Results - "Kerraj, Said"
-
1
Effects of chelate ligands containing NN, PN, and PP on the performance of half-sandwich ruthenium metal complexes as sensitizers in dye sensitized solar cells (DSSCs): Quantum chemical investigation
Published in Polyhedron (15-01-2023)“…The structural and electronic properties of ruthenium half sandwich complex dyes suggested for use as sensitizers in DSSCs were examined by DFT and TD-DFT…”
Get full text
Journal Article -
2
Theoretical study of photovoltaic performances of Ru, Rh and Ir half sandwich complexes containing N,N chelating ligands in Dye-Sensitized Solar Cells (DSSCs). DFT and TD-DFT investigation
Published in Computational and theoretical chemistry (01-03-2022)“…[Display omitted] •Half sandwich complexes dyes for dye-sensitized solar cells.•Complexes of [(arene)MLCl] (M=Ru, Rh, and Ir)•DFT and TD-DFT…”
Get full text
Journal Article -
3
Computational analysis of ligand design for Ru half-sandwich sensitizers in bulk heterojunction (BHJ) solar cells: Exploring the role of –NO2 group position and π-conjugation in optimizing efficiency
Published in Journal of the Indian Chemical Society (01-05-2024)“…Bulk Heterojunction (BHJ) solar cells offer cost-effective photovoltaic solutions, flexible manufacturing, and improved efficiency with reduced environmental…”
Get full text
Journal Article -
4
Is the pericyclic transition structure of aza-Diels-Alder reaction aromatic?
Published in Journal of molecular graphics & modelling (01-09-2019)“…The notion of aromaticity is an elusive concept, typically delineated as an electron delocalization pattern within a cyclic structure, and is characterized by…”
Get full text
Journal Article -
5
Enhancing dye sensitized solar cells performance through quinoxaline based organic dye sensitizers
Published in Journal of computational electronics (01-12-2024)“…We present the characterization of seven newly developed organic dyes tailored for application in dye-sensitized solar cells (DSSCs). At the core of their…”
Get full text
Journal Article