Pyrrolo[3,4-<i>c</i>]pyridine-1,2-dione: a new electron acceptor for electrochromic conjugated polymers

Vo, Tung Phuc; Chua, Ming Hui; Ang, Shi Jun; Chin, Kang Le Osmund; Soo, Xiang Yun Debbie; Png, Zhuang Mao; Tam, Teck Lip Dexter; Zhu, Qiang; Procter, David J.; Xu, Jianwei

doi:10.1039/d2py00863g

Cited by 17 publications

(5 citation statements)

References 71 publications

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“…The fluorine atoms in D5, the cyano group in D4, and the pyridine and pyridazine aromatic rings in D2 and D3 exhibit a larger influence on tuning the electronic properties as compared to the bare benzothiadiazole moiety involving D1. This is related to the high delocalization of electrons and the increased push–pull mechanism . D3 exhibits the lowest band gap (1.33 eV) resulting from a higher planarity and the high electron-withdrawing behavior of the pyridazine moiety .…”

Section: Results and Discussionmentioning

confidence: 99%

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Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

Zaier,

Martel,

Antosiewicz

2023

J. Phys. Chem. A

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In this work, five novel A-π-D-π-A type molecules D1–D5 were designed by adding unusual benzothiadiazole derivatives as π-spacer blocks to the efficient reference molecule DRCN5T for application as donor materials in organic solar cells (OSCs). Based on a density functional theory approach, a comprehensive theoretical study was performed with different functionals (B3LYP, B3LYP-GD3, B3LYP-GD3BJ, CAM-B3LYP, M06, M062X, and wB97XD) and with different solvent types (PCM and SMD) at the extended basis set 6-311+g(d,p) to evaluate the structural, optoelectronic, and intramolecular charge transfer properties of these molecules. The B3LYP-GD3BJ hybrid functional was used to optimize the studied molecules in CHCl 3 solution with the SMD model solvent as it provided the best results compared to experimental data. Transition density matrix maps were simulated to examine the hole–electron localization and the electronic excitation processes in the excited state, and photovoltaic parameters including open-circuit photovoltage and fill factor were investigated to predict the efficiency of these materials. All the designed materials showed promising optoelectronic and photovoltaic characteristics, and for most of them, a red shift. Out of the proposed molecules, [1,2,5]thiadiazolo[3,4- d ]pyridazine was selected as a promising π-spacer block to evaluate its interaction with PC 61 BM in a composite to understand the charge transfer between the donor and acceptor subparts. Overall, this study showed that adding π-spacer building blocks to the molecular structure is undoubtedly a potential strategy to further enhance the performance of donor materials for OSC applications.

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Section: Results and Discussionmentioning

confidence: 99%

“…This is related to the high delocalization of electrons and the increased push–pull mechanism. 58 D3 exhibits the lowest band gap (1.33 eV) resulting from a higher planarity and the high electron-withdrawing behavior of the pyridazine moiety. 59 These results denote the promising abilities of D1–D5 in OSC applications.…”

Section: Results and Discussionmentioning

confidence: 99%

Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

Zaier,

Martel,

Antosiewicz

2023

J. Phys. Chem. A

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“…It is known that polymers could possess different function due to its bone structure and could find many applications in various fields. [142][143][144][145][146] To enhance indoor air quality in automobiles by effectively removing emitted CO 2 using fly ash, Kim H. J. et al presents a novel approach to CO 2 absorption using a composite electrospun membrane comprised of polyurethane (PU) and fly ash particles (FAP). [147] The membrane, prepared through the electrospinning process, demonstrated efficient CO 2 capture from the surrounding air, without additional power consumption or increased costs.…”

Section: Other Modification Methodsmentioning

confidence: 99%

Harnessing Ash for Sustainable CO₂ Absorption: Current Strategies and Future Prospects

Wu,

Zhang,

Wang

et al. 2024

Chemistry An Asian Journal

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This review explores the potential of using different types of ash, namely fly ash, biomass ash, and coal ash etc., as mediums for CO2 capture and sequestration. The diverse origins of these ash types—municipal waste, organic biomass, and coal combustion—impart unique physicochemical properties that influence their suitability and efficiency in CO2 absorption. This review first discusses the environmental and economic implications of using ash wastes, emphasizing the reduction in landfill usage and the transformation of waste into value‐added products. Then the chemical/physical treatments of ash wastes and their inherent capabilities in binding or reacting with CO2 are introduced, along with current methodologies utilize these ashes for CO2 sequestration, including mineral carbonation and direct air capture techniques. The application of using ash wastes for CO2 capture are highlighted, followed by the discussion regarding challenges associated with ash‐based CO2 absorption approach. Finally, the article projects into the future, proposing innovative approaches and technological advancements needed to enhance the efficacy of ash in combating the increasing CO2 levels. By providing a comprehensive analysis of current strategies and envisioning future prospects, this review aims to contribute to the field of sustainable CO2 absorption and environmental management.

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“…Based on distinct phenomena, X-ray analysis can be categorized into three main types: X-ray diffraction, X-ray absorption, and X-ray photoelectron spectroscopy. The range of materials is expanding, − research is continually advancing, and X-ray characterization techniques persist in propelling material development forward …”

Section: In Situ Techniquesmentioning

confidence: 99%

In Situ Characterization Techniques for Electrochemical Nitrogen Reduction Reaction

Wu,

Wang,

et al. 2024

ACS Nano

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The electrochemical reduction of nitrogen to produce ammonia is pivotal in modern society due to its environmental friendliness and the substantial influence that ammonia has on food, chemicals, and energy. However, the current electrochemical nitrogen reduction reaction (NRR) mechanism is still imperfect, which seriously impedes the development of NRR. In situ characterization techniques offer insight into the alterations taking place at the electrode/electrolyte interface throughout the NRR process, thereby helping us to explore the NRR mechanism in-depth and ultimately promote the development of efficient catalytic systems for NRR. Herein, we introduce the popular theories and mechanisms of the electrochemical NRR and provide an extensive overview on the application of various in situ characterization approaches for on-site detection of reaction intermediates and catalyst transformations during electrocatalytic NRR processes, including different optical techniques, X-ray-based techniques, electron microscopy, and scanning probe microscopy. Finally, some major challenges and future directions of these in situ techniques are proposed.

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Pyrrolo[3,4-c]pyridine-1,2-dione: a new electron acceptor for electrochromic conjugated polymers

Abstract: A new pyrrolo[3,4-c]pyridine-1,2-dione (PPyD) electron acceptor was synthesized via the Diels Alder reaction between N-alkyl maleimide dienophile and 1,2,4-triazine moieties. PPyD was subsequently used to construct five donor-acceptor type conjugated...

Cited by 17 publications

References 71 publications

Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

Harnessing Ash for Sustainable CO₂ Absorption: Current Strategies and Future Prospects

In Situ Characterization Techniques for Electrochemical Nitrogen Reduction Reaction

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Pyrrolo[3,4-c]pyridine-1,2-dione: a new electron acceptor for electrochromic conjugated polymers

Abstract: A new pyrrolo[3,4-c]pyridine-1,2-dione (PPyD) electron acceptor was synthesized via the Diels Alder reaction between N-alkyl maleimide dienophile and 1,2,4-triazine moieties. PPyD was subsequently used to construct five donor-acceptor type conjugated...

Cited by 17 publications

References 71 publications

Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

Harnessing Ash for Sustainable CO2 Absorption: Current Strategies and Future Prospects

In Situ Characterization Techniques for Electrochemical Nitrogen Reduction Reaction

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Product

Resources

About

Harnessing Ash for Sustainable CO₂ Absorption: Current Strategies and Future Prospects