Spectroscopic, structural and molecular docking studies on N, N-dimethyl-2-[6-methyl-2-(4-methylphenyl) imidazo [1, 2-a] pyridin-3-yl] acetamide
A Ram Kumar, N Kanagathara - Physical Chemistry Research, 2024 - physchemres.org
With the help of quantum computational methods, the current study aims to analyze the
geometric as well as spectroscopic studies on N, N-dimethyl-2-[6-methyl-2-(4-methylphenyl) …
geometric as well as spectroscopic studies on N, N-dimethyl-2-[6-methyl-2-(4-methylphenyl) …
New D− π–D− π–A systems based on phenothiazine derivatives with imidazole structures for photovoltaics
Two new compounds with an N-octyl phenothiazine core substituted at C (7) position via a
triple bond with imidazole-containing butyl or dodecyl chains bearing on the opposite side at …
triple bond with imidazole-containing butyl or dodecyl chains bearing on the opposite side at …
Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation
G Deogratias, N Seriani, T Pogrebnaya… - Journal of Molecular …, 2020 - Elsevier
Dye-sensitized solar cells (DSSCs) have attracted widespread attention due to their unique
features. In the present work, molecular engineered triphenylamine based dyes featuring …
features. In the present work, molecular engineered triphenylamine based dyes featuring …
Effect of electron-donating and-withdrawing substitutions in naphthoquinone sensitizers: The structure engineering of dyes for DSSCs in Quantum Chemical Study
S Sarı, N Karakuş - Chemical Physics, 2024 - Elsevier
Dye-sensitized solar cells (DSSCs) are cost-effective photovoltaic devices that convert solar
energy into electricity using a dye sensitizer, TiO 2 photoanode, electrolyte, and counter …
energy into electricity using a dye sensitizer, TiO 2 photoanode, electrolyte, and counter …
Optical and electronic properties enhancement via chalcogenides: promising materials for DSSC applications
Context Comparatively, metal-free sensitizers featuring the chalcogen family receive less
attention despite known electronic properties for metal-chalcogenide materials. This work …
attention despite known electronic properties for metal-chalcogenide materials. This work …
Computational investigations on efficient metal-free organic D-π-A dyes with different spacers for powerful DSSCs applications
PM Anbarasan, A Arunkumar, M Shkir - Molecular Simulation, 2022 - Taylor & Francis
ABSTRACT Based on 3-(4-((4-carbazol-9-yl-phenyl) ethynyl) phenyl)-2-cyanoacrylic acid
(CB1) dye, the six newly planned organic spacer (CBS1-CBS6) dyes were investigated for …
(CB1) dye, the six newly planned organic spacer (CBS1-CBS6) dyes were investigated for …
The influence of metal-free thiophene spacer chain on optoelectronic analysis by TD-DFT method for efficient dye-sensitized solar cells with enhanced non-linear …
A Ammasi, XH Ju - Journal of Physics and Chemistry of Solids, 2024 - Elsevier
The pyrene group in conjugation with the thiophene moiety was used to design new organic
molecules for the dye-sensitized solar cells (DSSCs) along with non-linear optical (NLO) …
molecules for the dye-sensitized solar cells (DSSCs) along with non-linear optical (NLO) …
Optoelectronic properties of a simple metal-free organic sensitizer with different spacer groups: quantum chemical assessments
A Arunkumar, PM Anbarasan - Journal of Electronic Materials, 2019 - Springer
The optimized geometries, electronic structures, absorption spectra and non-linear optical
(NLO) properties of five donor-π-spacer-acceptor (D-π-A)-based organic molecules, namely …
(NLO) properties of five donor-π-spacer-acceptor (D-π-A)-based organic molecules, namely …
Computational analysis on D–π–A based perylene organic efficient sensitizer in dye-sensitized solar cells
A Arunkumar, S Shanavas, R Acevedo… - Optical and Quantum …, 2020 - Springer
We designed and screened a series of metal-free organic dyes with different tunable donors
(D1–D3) based on literature dye (3a). The D1–D3 organic dyes have been applied in dye …
(D1–D3) based on literature dye (3a). The D1–D3 organic dyes have been applied in dye …
Computational Investigation on Series of Metal‐Free Sensitizers in Tetrahydroquinoline with Different π‐spacer Groups for DSSCs
A Arunkumar, M Deepana, S Shanavas… - …, 2019 - Wiley Online Library
Dye‐sensitized solar cells (DSSCs) have considerable attention to the academic and
industrial community. Because, it makes solar energy efficient and cost effective to harness …
industrial community. Because, it makes solar energy efficient and cost effective to harness …