Simultaneous Optimization of Donor/Acceptor Pairs and Device Specifications for Nonfullerene Organic Solar Cells Using a QSPR Model with Morphological Descriptors

2021 ◽  
pp. 4980-4986
Author(s):  
Yaping Wen ◽  
Yunhao Liu ◽  
Bohan Yan ◽  
Théophile Gaudin ◽  
Jing Ma ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Simultaneous Optimization ◽  
Morphological Descriptors ◽  
Qspr Model ◽  
Donor Acceptor

scholarly journals Simultaneous Optimization of Donor/acceptor Pairs and Device Specifications for Non-Fullerene Organic Solar Cells Using a QSPR Model with Morphological Descriptors

2021 ◽  
Author(s):  
Yaping Wen ◽  
Bohan Yan ◽  
Theophile Gaudin ◽  
Jing Ma ◽  
Haibo Ma
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Chemical Space ◽  
Simultaneous Optimization ◽  
Structure Property ◽  
Qspr Model ◽  
Structure Property Relationships ◽  
Quantitative Structure Property Relationships ◽  
Donor Acceptor ◽  
New Framework

<p><a></a><a>In addition to designing new donor (D) and/or acceptor (A) molecules, the optimization of</a><a></a><a> experimental fabrication conditions </a>for the organic solar cells (OSCs) is also a complex, multidimensional challenge, which hasn’t been theoretically explored. Herein, a new framework for simultaneous optimizing D/A molecule pairs and device specifications of OSCs is proposed, through a quantitative structure-property relationships (QSPR) model built by machine learning. Combining the <a></a><a>device parameters</a> with<a></a><a> structural and electronic </a>variables, the built QSPR model achieved unprecedentedly high accuracy and consistency. Additionally, a huge chemical space containing <a>1,942,785</a> D/A pairs is explored to find potential synergistic ones. Favorable expereimental parameters such as root-mean-square (<i>RMS</i>) and the D/A ratio (<i>DAratio</i>) are further screened by grid search methods. <a></a><a></a><a></a><a>Overall, this study suggests </a>the feasibility to optimize D/A molecule pairs and device specifications simultaneously by enabling better-informed and data-driven techniques and this could facilitate the acceleration of improving OSCs efficiencies.</p>

scholarly journals Simultaneous Optimization of Donor/acceptor Pairs and Device Specifications for Non-Fullerene Organic Solar Cells Using a QSPR Model with Morphological Descriptors

2021 ◽  
Author(s):  
Yaping Wen ◽  
Bohan Yan ◽  
Theophile Gaudin ◽  
Jing Ma ◽  
Haibo Ma
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Chemical Space ◽  
Simultaneous Optimization ◽  
Structure Property ◽  
Qspr Model ◽  
Structure Property Relationships ◽  
Quantitative Structure Property Relationships ◽  
Donor Acceptor ◽  
New Framework

<p><a></a><a>In addition to designing new donor (D) and/or acceptor (A) molecules, the optimization of</a><a></a><a> experimental fabrication conditions </a>for the organic solar cells (OSCs) is also a complex, multidimensional challenge, which hasn’t been theoretically explored. Herein, a new framework for simultaneous optimizing D/A molecule pairs and device specifications of OSCs is proposed, through a quantitative structure-property relationships (QSPR) model built by machine learning. Combining the <a></a><a>device parameters</a> with<a></a><a> structural and electronic </a>variables, the built QSPR model achieved unprecedentedly high accuracy and consistency. Additionally, a huge chemical space containing <a>1,942,785</a> D/A pairs is explored to find potential synergistic ones. Favorable expereimental parameters such as root-mean-square (<i>RMS</i>) and the D/A ratio (<i>DAratio</i>) are further screened by grid search methods. <a></a><a></a><a></a><a>Overall, this study suggests </a>the feasibility to optimize D/A molecule pairs and device specifications simultaneously by enabling better-informed and data-driven techniques and this could facilitate the acceleration of improving OSCs efficiencies.</p>

Triphenylamine based donor-acceptor-donor type small molecules for organic solar cells

2021 ◽  
Vol 1198 ◽  
pp. 113176
Author(s):  
Sadaf Bibi ◽  
Rasheed Ahmad Khera ◽  
Afifa Farhat ◽  
Javed Iqbal
Keyword(s):  
Solar Cells ◽  
Small Molecules ◽  
Organic Solar Cells ◽  
Donor Type ◽  
Donor Acceptor

Fabrication and characterization of CuPc and PCBM based organic solar cell with metal interlayer

2015 ◽  
Vol 12 (5) ◽  
pp. 413-420
Author(s):  
Muhammad Ahsan Naveed ◽  
A. Hussain ◽  
K. Islam ◽  
P. Akhter
Keyword(s):  
Solar Cells ◽  
Solar Cell ◽  
Impedance Spectroscopy ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
Silver Layer ◽  
Absorbance Spectrum ◽  
Heterojunction Solar Cells ◽  
Processing Cost ◽  
Donor Acceptor

Organic solar cells have potential as an alternative to conventional inorganic solar cell due to low processing cost, flexibility and easy fabrication technique. The goal of this paper is to study the characteristics of the CuPc and PCBM based organic solar cell by introducing a thin layer of Ag at the interface of donor (CuPc) and Acceptor (PCBM), their photovoltaic and optical properties were investigated. The heterojunction solar cells with and without silver inter layer were fabricated through thermal deposition in HR vacuum. The OPV solar cells were characterized using current-voltage graphs, absorbance spectrum and Impedance spectroscopy. Impedance spectroscopy was taken to identify the traps using series resistance, parallel resistance, and Impedance spectrums under different frequencies. Optical behaviors of these devices have been investigated with absorbance spectrum. Introducing Ag to interfacing point produced traps and these traps causes to decreased Voc, Isc, FF, and efficiency. The effect of silver layer at donor acceptor interface was studied.

Uphill and downhill charge generation from charge transfer to charge separated states in organic solar cells

2021 ◽  
Author(s):  
Shahidul Alam ◽  
Vojtech Nádaždy ◽  
Tomáš Váry ◽  
Christian Friebe ◽  
Rico Meitzner ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Solar Cells ◽  
Charge Transfer ◽  
Energy Level ◽  
Density Of States ◽  
Organic Solar Cells ◽  
Joint Density ◽  
Charge Generation ◽  
Donor Acceptor

Energy level alignments at the organic donor–acceptor interface cannot be predicted from cyclic voltammetry. Onsets for joint density of states and charge generation, reveal cases of energy uphill and – newly observed – downhill charge generation.

Energy level alignment in polymer organic solar cells at donor-acceptor planar junction formed by electrospray vacuum deposition

2014 ◽  
Vol 104 (16) ◽  
pp. 163303 ◽  
Author(s):  
Ji-Hoon Kim ◽  
Jong-Am Hong ◽  
Dae-Gyeon Kwon ◽  
Jaewon Seo ◽  
Yongsup Park
Keyword(s):  
Solar Cells ◽  
Energy Level ◽  
Organic Solar Cells ◽  
Vacuum Deposition ◽  
Energy Level Alignment ◽  
Donor Acceptor ◽  
Planar Junction

Synthesis and photovoltaic properties of A–D–A type non-fullerene acceptors containing isoindigo terminal units

RSC Advances ◽  
2015 ◽  
Vol 5 (130) ◽  
pp. 107566-107574 ◽  
Author(s):  
Xin Liu ◽  
Yuan Xie ◽  
Xinyi Cai ◽  
Yunchuan Li ◽  
Hongbin Wu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Organic Molecules ◽  
Photovoltaic Properties ◽  
Donor Acceptor ◽  
Solution Processable ◽  
Terminal Units

Four solution-processable acceptor–donor–acceptor structured organic molecules with isoindigo as terminal acceptor units and different aromatic rigid planar cores as donor units were designed and synthesized as the acceptor materials in organic solar cells (OSCs).

Molecular Optimization of Incorporating Pyran Fused Acceptor-Donor-Acceptor Type Acceptors Enables over 15% Efficiency in Organic Solar Cells

2022 ◽  
Author(s):  
Yongsheng Chen ◽  
Simin Wu ◽  
Lingxian Meng ◽  
Zhe Zhang ◽  
Mingpeng Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Fused Ring ◽  
Donor Acceptor

A series of acceptor-donor-acceptor type of fused-ring non-fullerene acceptors, FOR-IN, FOR-1F and FOR-2F, were designed and synthesized, featuring with the same pyran-composed backbone and different fluorine substituted 1,1-dicyanomethylene-3-indanone terminals. The...

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