A theoretical study of non-fullerene electron acceptor-based on thiophene derivatives for organic solar cells

Aboulouard, Abdelkhalk; Atouailaa, Mohamed Kadour; Elhadadi, Benachir; Bensemlali, Meryem; Boulghallat, M.; Said, Laasri; Idrissi, Mohammed El

doi:10.1016/j.matpr.2022.05.426

Cited by 5 publications

(3 citation statements)

References 35 publications

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“…From the above equation, the PCE of the device depends directly on FF , V oc and J SC (short circuit current density), and on the contrary depends on P in (power of incident light) [51] …”

Section: Resultsmentioning

confidence: 99%

“…[49] whose calculation formula is as equation ( 2): [50] (2) From the above equation, the PCE of the device depends directly on FF, V oc and J SC (short circuit current density), and on the contrary depends on P in (power of incident light). [51] V oc is a major parameter to estimate the PCE of OSCs. It can be estimated and expressed by the following empirical formula (3): [52] V oc ¼ E LUMO ðAÞ À E HOMO ðDÞ e À 0:3…”

Section: Photovoltaic Performancementioning

confidence: 99%

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Theoretical Insights into the Effect of Conjugated Cores on Optical and Photovoltaic Properties of Small Molecule Acceptors for Organic Solar Cells

Yin,

Cai,

Wang

et al. 2023

ChemistrySelect

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The research of organic photovoltaic materials based on small molecules is receiving high attention from researchers of organic solar cells (OSCs) to continuously improve their power conversion efficiency (PCE). To enhance the PCE, we have designed four small molecule acceptors P3–P6 based on reported IDT(TCV)2 (P1) and IDTT(TCV)2 (P2), with different central aromatic fused rings, and tricyanoethylene (TCV) as the terminal acceptor unit. The ground‐state properties, excited‐state properties and photovoltaic properties of donor/acceptor blends are calculated by density functional theory and time‐dependent density functional theory. Also, the relationship between their photoelectric and structural properties has been discussed. The calculation results show that P5 and P6 can simultaneously increase open‐circuit voltages (Voc), fill‐factors (FF), and short circuit current (Jsc) due to their high lowest unoccupied molecular orbital, small energy gap and high charge collection efficiency. In terms of charge‐transfer mechanism, PTB7‐Th/P1–P6 can generate CT states through direct excitation and hot exciton, meanwhile there exist more opportunities of producing CT states via intermolecular electric field mechanism. Our results will provide theoretical guidance for further designing and synthesizing of acceptors to improve the performance of OSCs.

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“…From the above equation, the PCE of the device depends directly on FF , V oc and J SC (short circuit current density), and on the contrary depends on P in (power of incident light) [51] …”

Section: Resultsmentioning

confidence: 99%

Section: Photovoltaic Performancementioning

confidence: 99%

Theoretical Insights into the Effect of Conjugated Cores on Optical and Photovoltaic Properties of Small Molecule Acceptors for Organic Solar Cells

Yin,

Cai,

Wang

et al. 2023

ChemistrySelect

View full text Add to dashboard Cite

show abstract

“…Sol-gel processes [30][31][32], flame spray synthesis [33], hydrothermal processes [34], electrospinning techniques [35], chemical and physical vapor deposition [36,37], and thermal, chemical, and electrochemical (anodization) oxidation [38][39][40][41] are a few of the different ways TiO 2 can be produced. The phrase "anodization" is a blanket term encompassing a variety of material-treatment procedures, frequently done to produce oxide coatings that enhance the performance of a surface.…”

Section: Introductionmentioning

confidence: 99%

Gas Sensor for Hazardous Nitrogen Dioxide Based on TiO2 Nanotube Synthesis via Electrochemical Method

Faris,

Ayal

2023

IJP

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Because of the quick growth of electrical instruments used in noxious gas detection, the importance of gas sensors has increased. X-ray diffraction (XRD) can be used to examine the crystal phase structure of sensing materials, which affects the properties of gas sensing. This contributes to the study of the effect of electrochemical synthesis of titanium dioxide (TiO2) materials with various crystal phase shapes, such as rutile TiO2 (R-TiO2NTs) and anatase TiO2 (A-TiO2NTs). In this work, we have studied the effect of voltage on preparing TiO2 nanotube arrays via the anodization technique for gas sensor applications. The results acquired from XRD, energy dispersion spectroscopy (EDX), and field emission scanning electron microscopy (FE-SEM) elucidate that TiO2 was created. In addition, systematically examining the gas detection properties was also done. The gas sensor was produced from TiO2 nanotubes, and the gas-detecting features were directed at nitrogen dioxide (NO2), which is a hazardous gas. The sensor formed from TiO2 nanotubes detects NO2 gas at various temperatures, from room temperature to 300 oC, and it has good sensitivity to this gas. The results exhibit that the gas sensor that was synthesized at 30 V has good sensitivity and a short response time at room temperature for NO2 gas sensing.

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Computational Study of New Small Molecules based Thiophene as Donor Materials for Bulk Heterojunction Photovoltaic Cells

et al. 2022

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A theoretical study of non-fullerene electron acceptor-based on thiophene derivatives for organic solar cells

Cited by 5 publications

References 35 publications

Theoretical Insights into the Effect of Conjugated Cores on Optical and Photovoltaic Properties of Small Molecule Acceptors for Organic Solar Cells

Theoretical Insights into the Effect of Conjugated Cores on Optical and Photovoltaic Properties of Small Molecule Acceptors for Organic Solar Cells

Gas Sensor for Hazardous Nitrogen Dioxide Based on TiO2 Nanotube Synthesis via Electrochemical Method

Computational Study of New Small Molecules based Thiophene as Donor Materials for Bulk Heterojunction Photovoltaic Cells

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