Density Functional Theory Study of Selenium-Substituted Low-Bandgap Donor–Acceptor–Donor Polymer

Ullah, Habib; Bibi, Salma; Tahir, Asif Ali; Mallick, Tapas K.

doi:10.1021/acs.jpcc.6b10441

Cited by 21 publications

(17 citation statements)

References 67 publications

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“…Conjugated polymers have been widely applied to optoelectronic devices, such as solar cells, field-effect transistors, polymer light-emitting diodes, and organic lasers, − because of their excellent optical and electronical properties. − In carbon-based platforms, the transport of charge carriers inside a soft film is a unique phenomenon but is considered a limiting factor in various platform applications. As such, enhanced electronically active systems have been developed.…”

Section: Introductionmentioning

confidence: 99%

Quantitative Study on β-Phase Heredity Based on Poly(9,9-dioctylfluorene) from Solutions to Films and the Effect on Hole Mobility

Bai

Liu

et al. 2016

J. Phys. Chem. C

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In this work, the quantitative relationship in the heredity of β-phase from a solution to a thin film based on poly(9,9-dioctylfluorene) (PFO), the mechanism of β-phase formation, and the effects of β-phase contents on hole mobility were investigated. The heredity based on PFO β-phase from the solution to the thin film was characterized through UV−vis absorption. Results indicated that β-phase can be completely transferred from solutions to films during drying to form films. PFO β-phase was stable and could manage the dynamic changes from a liquid state to a thin-film state. The β-phase content was higher in the diluted solutions, and the reason was revealed through dynamic light scattering. Thus, a new structure model was constructed, and polymer chain aggregation was rendered unnecessary during PFO β-phase formation. The energy status of the β-phase was lower than that of the α-phase. Consequently, PFO chains were autonomously assembled to become orderly. The chemical environment of the low-concentration solution was more suitable than that of the high-concentration solution. The polymer chains in the former could more freely adapt to a flat geometry than those in the latter to facilitate interchain stacking. Chain aggregation was then observed through transmission electron microscopy. Photoinduced charge extraction with a linear increase in voltage was also performed to examine the charge density and hole mobility of PFO. Hole mobility could be enhanced by an order of magnitude when β-phase was increased from 0% to 5.4%. Thus, the presence of a small amount of ordered domains that can form interconnected channels could strongly enhance the carrier transport of materials in poorly ordered organic thin films, such as PFO. This condition is possibly beneficial for photoelectronic devices, and the adaptive nature of PFO chains in solutions to form a flat geometry is the main factor that promotes the order of the system.

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Section: Introductionmentioning

confidence: 99%

Quantitative Study on β-Phase Heredity Based on Poly(9,9-dioctylfluorene) from Solutions to Films and the Effect on Hole Mobility

Bai

Liu

et al. 2016

J. Phys. Chem. C

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“…Moreover, functionally decorated COFs can facilitate catalytic degradation of pollutants and convert them to clean energy. Our group has extensively worked on metal oxides and their composites for the application of photo-and electro-catalytic process [50][51][52][53][54][55][56][57][58][59][60][61][62][63][64][65][66][67], but recently we have shifted our focus towards COFs due to their excellent characteristic properties. Although COFs were first reported in 2005, their environmental applications have only attracted interest very recently [68].…”

Section: Introductionmentioning

confidence: 99%

Structural Characteristics and Environmental Applications of Covalent Organic Frameworks

et al. 2021

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Covalent organic frameworks (COFs) are emerging crystalline polymeric materials with highly ordered intrinsic and uniform pores. Their synthesis involves reticular chemistry, which offers the freedom of choosing building precursors from a large bank with distinct geometries and functionalities. The pore sizes of COFs, as well as their geometry and functionalities, can be pre-designed, giving them an immense opportunity in various fields. In this mini-review, we will focus on the use of COFs in the removal of environmentally hazardous metal ions and chemicals through adsorption and separation. The review will introduce basic aspects of COFs and their advantages over other purification materials. Various fabrication strategies of COFs will be introduced in relation to the separation field. Finally, the challenges of COFs and their future perspectives in this field will be briefly outlined.

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“…Accordingly, the appropriate design of high-performance polymer as an electrode modification material can avoid the above deficiency. More recently, OCPs based on a donor–acceptor (D-A) structure have attracted interest with the capacity of improving the performance of charge migration and exciton transfer. − …”

Section: Introductionmentioning

confidence: 99%

Density Functional Theory-Assisted Electrochemical Assay Manipulated by a Donor–Acceptor Structure toward Pharmaceutical Diagnostic

Liu

Zhang

et al. 2020

Anal. Chem.

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Oxidative stress is a state of stress injury, which leads to the pathogenesis of most neurodegenerative diseases. Moreover, this is also one of the main reasons for the loss of dopaminergic neurons and the abnormal content of dopamine (DA). In the past decades, a number of studies have found that acetaminophen (AP) is metabolized and distributed in the brain when it is used as a neuroprotective compound. In this context, we proposed an electrochemical sensor based on 9-(4-(10-phenylanthracen-9-yl)phenyl)-9H-carbazole with the goal of diagnosing these two drugs in the body. Carbazole groups can easily be formed into large π-conjugated systems by electropolymerization. The introduction of anthracene exactly combined the carbazole group to establish an efficient electron donor–acceptor pattern, which enhanced π–π interaction with the electrode surface and charge transporting ability. The diagnostic platform showed good sensing activity toward the oxidation of DA and AP. The detection range for DA and AP is from 0.2 to 300 μM and from 0.2 to 400 μM, respectively. The simultaneous detection range is from 0.5 to 250 μM, which is wider than most reports. After a series of electrochemical assessments were determined, the sensor was finally developed to the analysis of pharmaceutical and human serum, displaying a meaningful potential in clinical evaluation.

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Density Functional Theory Study of Selenium-Substituted Low-Bandgap Donor–Acceptor–Donor Polymer

Cited by 21 publications

References 67 publications

Quantitative Study on β-Phase Heredity Based on Poly(9,9-dioctylfluorene) from Solutions to Films and the Effect on Hole Mobility

Quantitative Study on β-Phase Heredity Based on Poly(9,9-dioctylfluorene) from Solutions to Films and the Effect on Hole Mobility

Structural Characteristics and Environmental Applications of Covalent Organic Frameworks

Density Functional Theory-Assisted Electrochemical Assay Manipulated by a Donor–Acceptor Structure toward Pharmaceutical Diagnostic

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