Theoretical study of organic solar cells
Theoretical Study on Understanding the Effects of Core Structure …
Nonfullerene acceptors (NFAs) are a new focus in organic photovoltaics (OPVs), and continue to progress upon the drawbacks of many fullerene …
A Theoretical Study on the Underlying Factors of the Difference in Performance of Organic Solar Cells …
Recently, non-fullerene-based organic solar cells (OSCs) have made great breakthroughs, and small structural differences can have dramatic impacts on the power conversion efficiency (PCE). We take <b>ITIC</b> and its isomers as examples to study their effects on the performance of OSCs. <b>ITIC</b> …
Theoretical study of triphenylamine-based organic dyes with …
In this report, DFT and TDDFT calculations used to explain the noticeable difference in the power conversion efficiencies (PCEs) of three reported triphenylamine-based organic dyes with mono-, di-, and tri-cyanoacrylic acid units as anchoring groups, and thiophene unit as π-bridges used as potential dyes in dye-sensitized solar cell …
A Combined Theoretical and Experimental Study of Dissociation of Charge Transfer States at the Donor–Acceptor Interface of Organic Solar Cells ...
The observation that in efficient organic solar cells almost all electron–hole pairs generated at the donor–acceptor interface escape from their mutual coulomb potential remains to be a conceptual challenge. It has been argued that it is the excess energy dissipated in the course of electron or hole transfer at the interface that assists this escape process. The …
Charge-transfer electronic states in organic solar cells
In organic solar cells, the charge-transfer (CT) electronic states that form at the interface between the ... CT states have been the focus of extensive experimental and theoretical studies. In ...
Theoretical studies on donor–acceptor based macrocycles for …
Numerous reports demonstrated the applications of these materials in organic solar cells (OSCs), organic field-effect transistors (OFETs), organic light …
Experimental and theoretical study of planar small molecule …
Request PDF | Experimental and theoretical study of planar small molecule acceptor for organic solar cells | China d State key lab of metal matrix composites, School of material science and ...
Theoretical study on the effect of end groups and core ring …
Modifying the skeleton, side chains and end groups of non-fullerene acceptors (NFAs) is important approach to improve the photovoltaic performance of organic solar cells. We …
Fine structural tuning of diketopyrrolopyrrole-cored donor …
In this study, we report a comprehensive computational investigation of structural fine-tuning in relation to organic solar cell applications for future design of DPP-based small molecules. Novel compounds (PPO(TFNa) 2 ), DAPO(TFNa) 2 and DAP(TFNa) 2 ) were designed by tuning DPP derivatives based on a previously reported D-π-A-π-D …
The use of ZnO as optical spacer in polymer solar cells: Theoretical and experimental study
For organic solar cells, insertion of an optical spacer between the active layer and the reflective electrode results in a redistribution of the optical electri Jan Gilot, Ionuţ Barbu, Martijn M. Wienk, René A. J. Janssen; The use of ZnO as optical spacer in polymer solar cells: Theoretical and experimental study. ...
Theoretical designing of small molecule donors for organic solar cells…
FMO analysis is a remarkable method for examining the different molecular binding energies, electronic transitions, optical characteristics, and chemical stabilities of organic molecules [47].The network of continuous donor and acceptor blends are employed as the active layer in bulk heterojunction organic photovoltaic systems.
Theoretical studies on donor–acceptor based macrocycles for organic ...
Numerous reports demonstrated the applications of these materials in organic solar cells (OSCs), organic field-effect transistors (OFETs), organic light-emitting diodes (OLEDs), sensors, and ...
Coherent Charge Transfer Reveals a Different Theoretical Limit …
5 · The hopping charge transfer (CT) theory is used to explain the dynamics of traditional donor-acceptor (D-A) devices in organic solar cells (OSCs). But it is not …
Theoretical study of the effect of D-A type polymer donors on the ...
DOI: 10.1016/j el.2023.106963 Corpus ID: 265448499; Theoretical study of the effect of D-A type polymer donors on the performance of Y6-based organic solar cells @article{Han2023TheoreticalSO, title={Theoretical study of the effect of D-A type polymer donors on the performance of Y6-based organic solar cells}, author={Jin-Hong Han and …
Modified fullerenes as acceptors in bulk heterojunction organic solar cells – a theoretical study
In the present study, electronic structure calculations were used to provide strategies for designing poly(3-hexylthiophene) (P3HT)–fullerene-derivative-based donor–acceptor materials for use in high-efficiency bulk heterojunction organic solar cells (BHJ OSCs). The work systematically analyses the impact of
Molecular Engineering Strategies of Spectral Matching and Structure Optimization for Efficient Metal-Free Organic Dyes in Dye-Sensitized Solar ...
Metal-free organic dyes are promising dyes that can be applied widely in dye-sensitized solar cells (DSSCs). The rational design and selection of dyes with complementary absorption can promote the development of methods that can enhance the utilization of incident light by DSSCs, such as cosensitization and tandem devices. Based …
A Theoretical Study on the Underlying Factors of the Difference in ...
Recently, non-fullerene-based organic solar cells (OSCs) have made great breakthroughs, and small structural differences can have dramatic impacts on the power conversion efficiency (PCE). We take <b>ITIC</b> and its isomers as examples to study their effects on the performance of OSCs. <b>ITIC</b> …
Theoretical Studies of Plasmonic Effects in Organic Solar Cells
Organic solar cells (OSCs) [1–3] have drawn much attentions in recent years, due to their interesting properties in terms of light incoupling and photocurrent generation, as well as the prospect of large-area production and low-cost processing.Many organic semiconductors exhibit very high absorption coefficients, making them promising …
The optoelectronic properties of π-conjugated organic molecules based on terphenyl and pyrrole for BHJ solar cells: DFT / TD-DFT theoretical study
In the present paper, four π-conjugated materials, based on terphenyl and pyrrole, with A–D–A structure have been theoretically studied to propose new organic compounds to be used in the organic solar cell field. Moreover, the geometrical and optoelectronic properties of the designed molecules M1, M2, M3 and M4 have been computed after optimization in …
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