[HTML][HTML] Molecular modeling and photovoltaic applications of porphyrin-based dyes: A review

MM Al Mogren, NM Ahmed, AA Hasanein - Journal of Saudi Chemical …, 2020 - Elsevier
In this review, the introduction of solar cells is presented. Old and new generation solar cells
are briefly described. Quantum dot solar cells (QDSCs), perovskite solar cells, and dye …

[PDF][PDF] TD-DFT study of charge transfer excitation in D-π-A metal complex dyes as sensitizers in DSSCs

AA Hasanein, YR Elmarassi, BA Ali - J. Comput. Methods Mol, 2015 - researchgate.net
The intra-molecular charge transfer electronic transition in a series of D-π-A metal
complexes dyes which could be used as sensitizers in DSSCs have been studied utilizing …

TD-DFT investigation of D–π–A organic dyes with thiophene moieties as π-spacers for use as sensitizers in DSSCs

AA Hasanein, YR Elmarassi, EN Kassem - Journal of molecular modeling, 2016 - Springer
The geometrical, conformational, and electronic properties of a series of D–π–A metal-free
dyes designed for use as sensitizers in DSSCs were studied using DFT and TD-DFT …

Theoretical investigation on flavones and isoflavones-added triphenylamine-based sensitizers for DSSC application

V Mohankumar, P Pounraj, M Senthil Pandian… - Brazilian Journal of …, 2019 - Springer
Twelve novel dye molecules developed from D-π-A-based triphenylamine (TPA) dyes were
studied to evaluate their suitability for dye-sensitized solar cells (DSSC), using density …

Computational study of adsorption and photophysical properties of metallophthalocyanine dyes for DSSCs

AM Ramadan, MA Fouad… - Academia Nano: Science …, 2024 - academia.edu
Adsorption characteristics, as well as photophysical and photovoltaic properties, of
symmetrically substituted phthalocyanine (Pc) with S-bridged 4-mercaptobenzoic acid (4 …

Effect of Flavone and Isoflavone in the Triphenylamine-Based Sensitizers for Dye-Sensitized Solar Cell Applications: DFT and TD-DFT Approach

V Mohankumar, P Pounraj, MS Pandian, P Ramasamy - Silicon, 2019 - Springer
Several metal-free organic sensitizers have been designed for dye-sensitized solar cell
applications. The effect of flavone and isoflavone in the triphenylamine sensitizers was …

The Electronic Structure and Optoelectronic Processes at the Interfaces in Organic Solar Cells Composed of Small Organic Molecules-A Computational Analysis of …

C Brückner - 2017 - opus.bibliothek.uni-wuerzburg.de
Describing the light-to-energy conversion in OSCs requires a multiscale understanding of
the involved optoelectronic processes, ie, an understanding from the molecular …

Estudo das propriedades fotofísicas e simulação do espectro de UV-VIS de corantes sensíveis ao pH

ES Gil - 2017 - lume.ufrgs.br
Utilizando métodos da química quântica computacional, como a Teoria Funcional da
Densidade independente (DFT) e dependente do tempo (TD-DFT), uma série de corantes …