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1.
J Mol Graph Model ; 123: 108526, 2023 09.
Artículo en Inglés | MEDLINE | ID: mdl-37263156

RESUMEN

In this research, five distinct small donor molecules (designated as ACR-TPA-X1, ACR-TPA-X2, ACR-TPA-X3, ACR-TPA-X4, ACR-TPA-X5) are constructed by replacing the methoxy groups on both sides of the model molecule (ACR-TPA-R) with thiophene bridged acceptor moieties. We have used the B3LYP/6-31G (d,p) model for our computational studies. Our model molecule's morphological alteration has resulted in a lowered Eg of 1.77-2.51 eV as compared to model (ACR-TPA-R=3.84 eV). ACR-TPA-X2 investigated the λmax at 776 nm. ACR-TPA-X4 was found to be most miscible with dichloromethane (DCM). The greatest VOC(1.21 eV) was observed in ACR-TPA-X1. Among all of the variants, ACR-TPA-X1 had the highest PCE (23.42%). It was found that ACR-TPA-X4 had the highest electron mobility (0.00370 eV) and ACR-TPA-X5 had the highest hole mobility (0.00324 eV) of all the materials examined. The findings prove the worth of the methods used, paving the way for the development of effective small donors for OSCs and HTMs for PSCs.


Asunto(s)
Acridinas , Aminas , Compuestos de Calcio , Electrones
2.
RSC Adv ; 13(43): 29944-29958, 2023 Oct 11.
Artículo en Inglés | MEDLINE | ID: mdl-37842667

RESUMEN

The rapid recombination of charges of photogenerated electrons and holes severely limits single semiconductor photocatalytic applications. In this study, a simple and facile sol-gel approach was used to synthesize Ba2-xHoxSr2-yNiyFe12O22 (x = 0, 0.1 and y = 0, 0.5). The composite of holmium-nickel doped barium-strontium ferrite with MXene (Ba1.9Ho0.1Sr1.5Ni0.5Fe12O22@MXene) was synthesized by ultrasonication method. These synthesized samples were subsequently used to photodegrade rhodamine B (RhB) and pendimethalin under visible light illumination. The results of the experiments demonstrated that MXene, as a cocatalyst, considerably reduces the rate of recombination of charges and broadens absorption of visible light by providing increased surface functional groups to improve the photocatalytic activity of synthesized samples. MXene is thermally stable, have high electrical conductivity, have adjustable bandgap, and hydrophilic in nature. The optimized Ba1.9Ho0.1Sr1.5Ni0.5Fe12O22@MXene composite demonstrated an excellent photocatalytic rate by degrading 78.88% RhB and 75.59% pendimethalin in 140 minutes. Moreover, the scavenging experiment revealed that photogenerated electrons and holes were the primary active species involved in RhB and pendimethalin photodegradation, respectively. Ba1.9Ho0.1Sr1.5Ni0.5Fe12O22@MXene showed increased photocatalytic behavior because it has increased surface area which decreases rate of recombination of electron and hole pair, hence photocatalytic activity increases. It is observed that Ba1.9Ho0.1Sr1.5Ni0.5Fe12O22@MXene has potential application in photocatalytic degradation of harmful pollutants.

3.
Adv Sci (Weinh) ; 10(33): e2303654, 2023 11.
Artículo en Inglés | MEDLINE | ID: mdl-37863822

RESUMEN

The exclusive features of two-dimensional (2D) semiconductors, such as high surface-to-volume ratios, tunable electronic properties, and biocompatibility, provide promising opportunities for developing highly sensitive biosensors. However, developing practical biosensors that can promptly detect low concentrations of target analytes remains a challenging task. Here, a field-effect-transistor comprising n-type transition metal dichalcogenide tin disulfide (SnS2 ) is developed over the hexagonal boron nitride (h-BN) for the detection of streptavidin protein (Strep.) as a target analyte. A self-designed receptor based on the pyrene-lysine conjugated with biotin (PLCB) is utilized to maintain the sensitivity of the SnS2 /h-BN FET because of the π-π stacking. The detection capabilities of SnS2 /h-BN FET are investigated using both Raman spectroscopy and electrical characterizations. The real-time electrical measurements exhibit that the SnS2 /h-BN FET is capable of detecting streptavidin at a remarkably low concentration of 0.5 pm, within 13.2 s. Additionally, the selectivity of the device is investigated by measuring its response against a Cow-like serum egg white protein (BSA), having a comparative molecular weight to that of the streptavidin. These results indicate a high sensitivity and rapid response of SnS2 /h-BN biosensor against the selective proteins, which can have significant implications in several fields including point-of-care diagnostics, drug discovery, and environmental monitoring.


Asunto(s)
Técnicas Biosensibles , Transistores Electrónicos , Animales , Bovinos , Femenino , Estreptavidina , Técnicas Biosensibles/métodos , Disulfuros , Semiconductores
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