scholarly journals Review of Molecular Modeling and Photoelectronic Applications of Porphyrin-based Materials

2020 ◽  
Author(s):  
M. MogrenAl Mogren ◽  
Noha M.Ahmed ◽  
Ahmed A.Hasanein
Keyword(s):  
Solar Cells ◽  
Energy Gap ◽  
Theoretical Calculations ◽  
Perovskite Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Electrical Energy ◽  
Dft Methods ◽  
Design Synthesis ◽  
Quantum Dot Solar Cells ◽  
Conversion Performance

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-sensitized solar cells (DSSCs) are concisely introduced. The sensitization mechanism in DSSCs is discussed in detail concerning the spectral and electron injection properties of different dyes. An analysis of the intramolecular charge transfer process in the excited dye molecule is also provided. The use of porphyrin-based dyes as sensitizers in DSSCs is then reviewed. The design, synthesis, and photovoltaic application of a wide variety of porphyrin-based dyes as well as porphyrin dyads are presented and discussed. Theoretical studies of the spectral and electronic properties of different porphyrin-based dyes using DFT and TD-DFT methods are described. The different possibilities for improving the light-to-electrical energy conversion performance are discussed, such as structural modifications through introducing push-pull moieties, which in turn tunes the HOMO-LUMO energy gap of the sensitizing dye used in the DSSC. Experimental, as well as theoretical calculations of adsorption energies of the sensitizing dyes, are crucial for predicting the relative performance and efficiency of the dyes.

scholarly journals Correction: Novel Au inlaid Zn2SnO4/SnO2 hollow rounded cubes for dye-sensitized solar cells with enhanced photoelectric conversion performance

2021 ◽  
Author(s):  
Bo Li ◽  
Enyan Guo ◽  
Chengxiang Wang ◽  
Longwei Yin
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Photoelectric Conversion ◽  
Dye Sensitized ◽  
Conversion Performance ◽  
Sensitized Solar Cells

Correction for ‘Novel Au inlaid Zn2SnO4/SnO2 hollow rounded cubes for dye-sensitized solar cells with enhanced photoelectric conversion performance’ by Bo Li et al., J. Mater. Chem. A, 2016, 4, 466–477, DOI: 10.1039/C5TA06889D.

scholarly journals Effect of the second chromophore energy gap on photo-induced electron injection in di-chromophoric porphyrin-sensitized solar cells

2018 ◽  
Vol 5 (9) ◽  
pp. 181218 ◽  
Author(s):  
Long Zhao
Keyword(s):  
Solar Cells ◽  
Energy Gap ◽  
Dye Sensitized Solar Cells ◽  
Orbital Energy ◽  
Charge Generation ◽  
Organic Chromophores ◽  
Main Charge ◽  
Lowest Unoccupied Molecular Orbital ◽  
Organic Chromophore ◽  
Sensitized Solar Cells

This work investigates the effect of the second chromophore energy gap on charge generation in porphyrin-based di-chromophoric dye-sensitized solar cells (DSSCs). Three di-chromophoric porphyrin dyes (PorY, PorO and PorR) containing three organic chromophores with decreasing frontier orbital energy offsets, including a carbazole-triphenylamine chromophore (yellow, Y), a carbazole fused-thiophene chromophore (orange, O) or a carbazole-thiophene benzothiadiazole thiophene chromophore (red, R), were investigated using optical and electrochemical methods, steady-state photoluminescence and photovoltaic device characterization. Energy transfer from the organic chromophore to the porphyrin was suggested in PorY and PorO as the main charge generation mechanism in DSSCs using these di-chromophoric dyes. On the other hand, electron transfer from the photo-excited porphyrin to the organic chromophore as a competing pathway leading to the loss of photocurrent is suggested for PorR-sensitized solar cells. The latter pathway leading to a loss of photocurrent is due to the lower lying lowest unoccupied molecular orbital of the additional organic chromophore (R) and suggests the limitation of the current di-chromophoric approach to increase the overall efficiency of DSSCs.

The design, synthesis, and characterization of D-π-A-π-A type organic dyes as sensitizers for dye-sensitized solar cells (DSSCs)

2014 ◽  
Vol 55 (21) ◽  
pp. 3244-3248 ◽  
Author(s):  
Tanika Khanasa ◽  
Narid Prachumrak ◽  
Palita Kochapradist ◽  
Supawadee Namuangruk ◽  
Tinnagon Keawin ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Dyes ◽  
Dye Sensitized Solar Cells ◽  
Synthesis And Characterization ◽  
Design Synthesis ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Prediction of Solar Cell Materials via Unsupervised Literature Learning

2021 ◽  
Author(s):  
Lei Zhang ◽  
Mu He
Keyword(s):  
Solar Cells ◽  
Solar Cell ◽  
Language Processing ◽  
Perovskite Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Cell Types ◽  
Data Driven ◽  
Cell Material ◽  
Textual Data ◽  
Solar Cell Material

Abstract Despite the significant advancement of the data-driven studies for physical science, the textual data that are numerous in the literature are not fully embraced by the physics and materials community. In this manuscript, we successfully employ the natural language processing (NLP) technique to unsupervisedly predict the existence of solar cell types including the dye-sensitized solar cells and the perovskite solar cells based on literatures published prior to their first discovery without human annotation. Enlightened by this, we further identify possible solar cell material candidates via NLP starting with a comprehensive training database of 3.2 million paper abstracts published before 2021. The NLP model effectively predicts the existing solar cell materials, while an uncommon solar cell material namely PtSe2 is suggested as an appropriate candidate for the future solar cells. Its optoelectronic properties are comprehensive investigated via first-principles calculations to reveal the decent stability and optoelectronic performance of the NLP-predicted candidate. This study demonstrates the viability of the textual data for the data-driven materials prediction and highlights the NLP method as a powerful tool to reliably predict the solar cell materials.

scholarly journals Hydrothermal synthesis of TiO2 nanoparticles doped with trace amounts of strontium, and their application as working electrodes for dye sensitized solar cells: tunable electrical properties & enhanced photo-conversion performance

RSC Advances ◽  
2017 ◽  
Vol 7 (4) ◽  
pp. 2358-2364 ◽  
Author(s):  
Hadja Fatima Mehnane ◽  
Changlei Wang ◽  
Kiran Kumar Kondamareddy ◽  
Wenjing Yu ◽  
Weiwei Sun ◽  
...  
Keyword(s):  
Solar Cells ◽  
Hydrothermal Synthesis ◽  
Electrical Properties ◽  
Tio2 Nanoparticles ◽  
Dye Sensitized Solar Cells ◽  
Performance Parameters ◽  
Dye Sensitized ◽  
Conversion Performance ◽  
Sensitized Solar Cells

Strontium (Sr) doped TiO2 nanoparticles are investigated with a view to studying the performance parameters of dye sensitized solar cells (DSSCs).

Design, synthesis of organic sensitizers containing carbazole and triphenylamine π-bridged moiety for dye-sensitized solar cells

2019 ◽  
Vol 16 (9) ◽  
pp. 1923-1937 ◽  
Author(s):  
Sadhasivam Velu ◽  
Harikrishnan Muniyasamy ◽  
Siva Ayyanar ◽  
Suresh Maniarasu ◽  
Ganapathy Veerappan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Design Synthesis ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Organic Sensitizers

First principles study of organic sensitizers for dye sensitized solar cells: effects of anchoring groups on optoelectronic properties and dye aggregation

2016 ◽  
Vol 18 (2) ◽  
pp. 1071-1081 ◽  
Author(s):  
Santhanamoorthi Nachimuthu ◽  
Wei-Chieh Chen ◽  
Ermias Girma Leggesse ◽  
Jyh-Chiang Jiang
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Spectral Properties ◽  
Theoretical Calculations ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
Dye Aggregation ◽  
Anchoring Groups ◽  
Sensitized Solar Cells ◽  
Organic Sensitizers

Efficient organic sensitizers with improved spectral properties and less aggregation have been proposed for practical DSSCs based on theoretical calculations.

scholarly journals Towards Rational Designing of Efficient Sensitizers Based on Thiophene and Infrared Dyes for Dye-Sensitized Solar Cells

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Ahmad Irfan ◽  
Abdullah G. Al-Sehemi ◽  
Shabbir Muhammad
Keyword(s):  
Density Functional Theory ◽  
Solar Cells ◽  
Molecular Orbital ◽  
Density Functional ◽  
Energy Gap ◽  
Dye Sensitized Solar Cells ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Orbital Energies ◽  
Sensitized Solar Cells

Geometries, electronic properties, and absorption spectra of the dyes which are a combination of thiophene based dye (THPD) and IR dyes (covering IR region; TIRBD1-TIRBD3) were performed using density functional theory (DFT) and time dependent density functional theory (TD-DFT), respectively. Different electron donating groups, electron withdrawing groups, and IR dyes have been substituted on THPD to enhance the efficiency. The bond lengths of new designed dyes are almost the same. The lowest unoccupied molecular orbital energies of designed dyes are above the conduction band of TiO2 and the highest occupied molecular orbital energies are below the redox couple revealing that TIRBD1-TIRBD3 would be better sensitizers for dye-sensitized solar cells. The broad spectra and low energy gap also showed that designed materials would be efficient sensitizers.

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