ArticleHeliyon2021
Theoretical design of D-π-A system new dyes candidate for DSSC application.
Article in Heliyon, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- (TD)DFT investigation of donor influence on the electronic and photovoltaic properties of D-π-A-π-A quinoxaline dyes.Journal of molecular modeling · 2026Article
- A computational study on the role of furan-based π-spacers in enhancing the efficiency of a DSSC.Journal of molecular modeling · 2026Article
- Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells.The journal of physical chemistry. A · 2026Article
- Chelating-Assisted Green Synthesis of TiOACS omega · 2026Article
- Theoretical design and analysis of D-π-A-A' organic dyes for enhanced efficiency in DSSCs by modifying donor (D) and acceptor (A) moieties.RSC advances · 2025Article
- Rational design of triphenylamine-based sensitizers for DSSCs: a DFT comparison of pyridine and amine donor substituents.Journal of molecular modeling · 2025Article
- Exploring optical, electrochemical, thermal, and theoretical aspects of simple carbazole-derived organic dyes.Heliyon · 2024Article
- Article
- Theoretical analysis on D-π-A triphenylamine-based dyes for dye-sensitized solar cells: effect of π-bridges on the optoelectronic, and photovoltaic properties.Journal of molecular modeling · 2023Article
- Role of anchoring groups on the light harvesting and optoelectronic properties of triphenylamine derivatives: insights from theory.Journal of molecular modeling · 2023Article
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Currently, dye-sensitized solar cells (DSSCs) are one of the energy technologies that has piqued the interest of researchers, due to their distinct characteristics such as excellent air stability, ease of synthesis and photovoltaic properties interesting. This work aims to study the optoelectronic properties and photovoltaic of six organic dyes based on phenothiazine (PTZ). The effects of bridging core modifications of recently synthesized PSB-4(R) molecule on structural, photovoltaic, electronic, and optical properties of D1-D6 are studied. Using the method Density Functional Theory (DFT) level of the B3LYP (Becke three-parameter Lee-Yang-Parr) exchange correlation functional with 6-31G (d, p) and time-dependent DFT (TD-DFT). According to the obtained results, optoelectronic properties and photovoltaic of the dyes, we can suggest that these designed molecules are better sensitizers as a candidate for the production of dye solar cells (DSSCs). This theoretical study paves the way for chemists to synthesize more efficient sensitizers for applications in dye solar cells.
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