A DFT Study of Solvent and Substituent Effects on the Adsorptive and Photovoltaic Properties of Some Selected Porphyrin Derivatives for DSSC Application
Abstract A DFT/TD-DFT method was employed to study the effects of structural modification
and solvent variation on the solubility, adsorptive, and photovoltaic properties of six …
and solvent variation on the solubility, adsorptive, and photovoltaic properties of six …
Synthesis of a new Zn-phthalocyanine, photophysical, photochemical, and sono-photochemical properties and DFT studies
In recent years cancer has become a global problem and burden to the health system.
Photodynamic therapy (PDT) and sonodynamic therapy (SDT) are promising alternatives for …
Photodynamic therapy (PDT) and sonodynamic therapy (SDT) are promising alternatives for …
Effects of solvents and substituents on the adsorptive and photovoltaic properties of porphyrins for dye-sensitized solar cell application: a theoretical consideration
The adsorptive properties onto TiO2 film, and the solubility behaviors of eighteen porphyrin
derivatives in acetonitrile (AcCN), dichloromethane (DCM), dimethyl sulphoxide (DMSO) …
derivatives in acetonitrile (AcCN), dichloromethane (DCM), dimethyl sulphoxide (DMSO) …
Study of chlorophyll dye from peppermint (mentha spicata) used as a sensitizer in TiO2 solar cells
A García, T Lopez-Luke… - International Journal of …, 2024 - degruyter.com
Chlorophyll from peppermint (mentha spicata) was evaluated as a natural dye sensitizer in
TiO2 solar cells. The final photoconversion efficiency depended on the solvent used as …
TiO2 solar cells. The final photoconversion efficiency depended on the solvent used as …
Computational Study of the Reaction Mechanism for the Formation of 4, 5-Diaminophthalonitrile from 4, 5-Dibromo-1, 2-Diaminobenzene and Copper Cyanide
K Sanusi - Communication in Physical Sciences, 2024 - journalcps.com
This study investigates the mechanism of the reaction between 4, 5-dibromo-1, 2-
diaminobenzene and copper cyanide using Density Functional Theory (DFT) calculations …
diaminobenzene and copper cyanide using Density Functional Theory (DFT) calculations …
Comparative study of the photovoltaic properties of corrole-and phthalocyanine-based sensitizers for dye-sensitized solar cell (DSSC) application: a theoretical …
In this paper, the photovoltaic efficiencies obtained via the electronic property study of
corroles and phthalocyanines (Pcs) with metal and hydrogen atom centers by means of …
corroles and phthalocyanines (Pcs) with metal and hydrogen atom centers by means of …