Green approach for the fabrication of a ternary nanocatalyst (Ag-ZnONPs@ Cy) for visible light-induced photocatalytic reduction of nitroarenes to aminoarenes

DA Kader - RSC advances, 2023 - pubs.rsc.org
In recent times, the incorporation of metal oxide nanoparticles with organic dyes has piqued
the interest of numerous researchers due to their diverse applications under visible light …

Enhanced photoelectrical properties of alizarin-based natural dye via structure modulation

C Sun, Y Li, J Han, B Cao, H Yin, Y Shi - Solar Energy, 2019 - Elsevier
A series of new dyes (AL01–AL02t) were designed through introducing different conjugated
bridges into the position of two hydroxyl groups on the natural dye 1, 2 …

Modelling natural dye molecules lawsone and purpurin in different solvents for DSSC applications: a DFT and TD-DFT study

G Chanana, K Batra - Molecular Simulation, 2022 - Taylor & Francis
The solvent effect on the molecular properties of lawsone and purpurin molecules has been
investigated using DFT and TD-DFT. The calculations have been performed using CAM …

A rational design of high efficient and low-cost dye sensitizer with exceptional absorptions: Computational study of cyanidin based organic sensitizer

K Galappaththi, P Ekanayake, MI Petra - Solar Energy, 2018 - Elsevier
We have computationally designed and characterized a series of new organic D− π− A
architected dyes that have originated from cyanidin, which is vastly available in nature, for …

Two novel mono-hydroxyl pyranoanthocyanidins bearing dimethylamino substituent (s) for dye-sensitized solar cell

X Shi, Y Li, L Wang - Journal of Molecular Structure, 2022 - Elsevier
Abstract Two novel analogues (AF3-1 and AF3-2) of natural pigments that were originally
found in wine product, pyranoanthocyanidins, were designed based on pyrano-4 …

Density Functional Theory Study of Optical and Electronic Properties of (TiO2)n=5,8,68 Clusters for Application in Solar Cells

IF Elegbeleye, NE Maluta, RR Maphanga - Molecules, 2021 - mdpi.com
A range of solution-processed organic and hybrid organic− inorganic solar cells, such as
dye-sensitized and bulk heterojunction organic solar cells have been intensely developed …

[HTML][HTML] Optical-electronic performance and mechanism investigation of dihydroindolocarbazole-based organic dyes for DSSCs

Q Liu, S Zhao, Y Zhai, M Xu, M Li, X Zhang - Results in Physics, 2021 - Elsevier
In recent years, organic dye molecules as photosensitizers have played a significant role in
the field of dye-sensitized solar cells. In this context, two primary dihydroindolocarbazole …

Time‐dependent density functional theory investigations on structural modification in carbazole‐based organic photosensitizers to improve electron injection in dye …

A Majid, M Sana, SUD Khan… - International Journal of …, 2020 - Wiley Online Library
The time‐dependent density functional theory approach, implemented at hybrid‐B3LYP,
GGA‐PBE, and density functional‐based tight binding levels of theory, was used to model …

Effects of fused thiophene Π-bridge on the electronic and optical properties of modified theaflavin natural dye

Syafri, F Ahmad, A Wibawa Sakti, PA Putro… - Molecular …, 2024 - Taylor & Francis
Natural dye sensitizers are substances that are sensitive to light colour and can be classified
into several classes based on their chemical structure. Theaflavin pigments are unexplored …

Analysis of the nonlinear optical properties, vibrational spectra, DFT method and photovoltaic performance of cyanidin-3-rutinoside chloride

EK Sarıkaya, Y Ekincioğlu, S Bahçeli… - Optical and Quantum …, 2024 - Springer
This study aims to identify a cyanidin-3-rutinoside chloride that exhibits both photovoltaic
performance and nonlinear optical properties, which may be utilized in the field of …