Open AccessNew Carbazole-Based Organic Dyes with Various Acceptors for Dye-Sensitized Solar Cells: Synthesis, Characterization, DSSCs Fabrications and DFT Study
Author(s) -
T. Saravana Kumaran,
A. Prakasam,
P. Vennila,
S. Parveen Banu,
G. Venkatesh
Publication year - 2021
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2021.23197
Subject(s) - dye sensitized solar cell , chemistry , molecule , carbazole , density functional theory , characterization (materials science) , photochemistry , molecular orbital , computational chemistry , organic chemistry , nanotechnology , materials science , electrode , electrolyte
The molecular configuration, synthesis and characterization of (E)-3-(6-bromo-9-phenyl-9H-carbazol-3-yl)acrylic acid (BPA), (E)-3-(6-bromo-9-phenyl-9H-carbazol-3-yl)-2-cyanoacrylic acid (BPCA) and(E)-N′-((6-bromo-9-phenyl-9H-carbazol-3-yl)methylene)-2-cyanoacetohydrazide (BPCH) configuredD-π-A sensitizers and the sensitizers are used in DSSCs. Dye molecules are described by FT-IR,NMR and UV-Vis analysis. The study shows that the non-planar structure of BPA, BPCA and BPCHcan effectively slow down the aggregation and conjugation of the dye. Computed vibrational modesare compared with observed bands. The Frontier molecular orbital (FMO) and molecular electrostaticpotential (MEP) have also been calculated using DFT-B3LYP/6-311++G(d,p) basis set.Physical-chemical parameters have also been analyzed using density functional theory. The mostexcellent DSSC performance in photovoltaic characterization is demonstrated by the dye molecules.