In this work, four free metal-organic dyes were synthesized as a donor-π bridge-acceptor system in a one-pot
condensation reaction and were used as sensitizers in DSSCs. To explore the effect of substituents of the efficiency of the
DSSCs, three different types of substituents were applied at the –NH position on the imidazole ring: nitrobenzene, alkyl chain
and phenyl coded (PP2, PP3 and, PP4) respectively. All these dyes are characterized by 1H NMR, 13C NMR, UV-Vis, and
mass spectroscopy. The energy band gap and structures of all dyes were estimated via applied tools of computational based on
the density functional theory method (DFT). The dye PP3 with the alkyl chain substitution displayed the highest power
conversion efficiency (PCE) of 2.01% (Jsc = 3.75 mA cm-2, Voc = 0.73 mV, FF = 73.9%) while the PP2 dye with the
nitrobenzene substitution showed the lowest energy gap (2.55 eV) and lowest PCE 0.96% (Jsc = 1.59 mA cm-2, Voc = 0.080
mV, FF = 61.6%).
Publication Date
2/5/2022
Publisher
National Information and Documentation Center
Volume No
65
Issue No
9
DOI
10.21608/EJCHEM.2022.115059.5221
Pages
7
Keywords
photovoltaics, DSSCs, organic dyes, DFT, and imidazole derivatives.
هيثم دلول حنون | Haitham Dalol Hanoon | 6697