Tuning the Properties of Tetracene‐Based Nanoribbons by Fluorination and N‐Doping

Younis, Umer; Muhammad, Imran; Kawazoe, Yoshiyuki; Sun, Qiang

doi:10.1002/cphc.201900803

Cited by 10 publications

(3 citation statements)

References 32 publications

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“…The change of bandgap type by doping was observed before by many works. [44][45][46][47][48][49][50] Tartrazine dye (E102) is synthetic industrial azo-dyes used as a food coloring has a molecular formula (C16H9N4Na3O9S2) with a density of 0.70 g ml −1 . 29 The doping of ZSC by E102 increases the Na alkali metal in the composite, which induces a strong electric field on the composite surface, [51][52][53][54] and the generated induced electric field leads to the change of the transition type.…”

Section: Resultsmentioning

confidence: 99%

The Spectroscopic and Antimicrobial Yield of Sol-Gel Derived Zinc Copper Silicate/E102 Nanoclusters

Mansour¹,

Hemdan²,

Saleh³

et al. 2022

ECS J. Solid State Sci. Technol.

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The structural and optical properties of 30 ZnO: 50 SiO2: (20-x) CuO (ZSC) loaded with E102 (tartrazine dye) (where x=0.02, 0.05, 0.07 wt.%) nanoclusters have been explored. These nanoclusters were synthesized by a sol-gel route followed by a very controlled crystallization process at 500oC. The phase formation, structural modification, and particle distribution behavior of these nanoclusters have been studied using XRD and TEM analysis to monitor the domestic environment for ZCS-E102. The optical transmission and reflection properties of nanoclusters in the UV-Vis-NIR range were studied for the present nanoclusters from which the optical absorption was calculated. Tauc method is employed to estimate the type and value of energy needed to gap transition from absorption data. The direct and indirect gap shows decreased energy need for its transition by E102 concentration increase. The antimicrobial potentials of four synthesized nanoclusters were performed against some pathogenic microbes. The toxicity performance of all studied nanoclusters is measured. Results revealed that ZSC-0.07E102 is showed an effective antimicrobial action against four tested pathogenic microbes in terms of excellent inhibitory effect and biocompatibility show noticeable potential in the antimicrobial application. Therefore, this proficient nanomaterial is a promising choice for biomedical purposes.

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Section: Resultsmentioning

confidence: 99%

The Spectroscopic and Antimicrobial Yield of Sol-Gel Derived Zinc Copper Silicate/E102 Nanoclusters

Mansour¹,

Hemdan²,

Saleh³

et al. 2022

ECS J. Solid State Sci. Technol.

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“…A 3D porous TC 60 structure is designed by assembling the recently synthesized tetracene nanoribbons [22,23] as elementary building block, the unit cell of 3D-TC 60 contains 60 atoms with a P4/M symmetry group (no. 83).…”

Section: Geometry and Stabilitymentioning

confidence: 99%

A Stable Three‐Dimensional Porous Carbon as a High‐Performance Anode Material for Lithium, Sodium, and Potassium Ion Batteries

Younis

Qayyum

Muhammad

et al. 2022

Advcd Theory and Sims

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Extensive efforts are devoted to the design of new carbon materials with improved specific capacity for metal ion batteries (MIBs). One of the effective strategies for such material design is to change the structural unit. Recently, tetracene‐based nanoribbons have been synthesized (Chem. Eur. J. 2019, 25, 12074), which can be used as a basic building block to design a 3D porous TC60 as demonstrated in this work. Based on first‐principles calculations, it is found that the 3D‐TC60 shows high dynamical and thermal stability. Furthermore, the 3D‐TC60 with its unique porosity and various adsorption sites can work as a high‐performance anode material for Li, Na, and K‐ion batteries with high specific capacity of 706, 706, 466 mAhg−1; low diffusion barrier of 0.25, 0.11, 0.08 eV; small volume change of 0.88, 1.96, 2.94%; and average voltage of 0.19, 0.24, 0.50 V, respectively. These intriguing findings suggest the promising prospect of tetracene based materials for battery technology.

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“…In this regard, tremendous efforts have focused on the investigation of flexible organic molecules that own high electron transport properties. Polycyclic aromatic hydrocarbons (PAHs), composed of more than two fused benzene rings, have attracted enormous attention due to their enhanced electronic performance. , In this context, oligoacenes as a homologous class of PAHs have been identified as suitable building blocks for the construction of a variety of optoelectronic devices such as OLEDs, OFETs, and OSCs. − Beside oligoacenes, PAHs having triangular, − circular, − and sunflower , morphologies have been of great interest due to their planar backbone frameworks. Although many experimental investigations were performed to design different structures of PAHs, however, relatively small efforts have been devoted to systematic investigation on their structure–property relationship.…”

Section: Introductionmentioning

confidence: 99%

Toward More Efficient Organic Semiconductors: The Relationship between Morphology, Charge Transport, and Photophysical Properties

Mohajeri

Farmani

2022

ACS Appl. Electron. Mater.

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In recent years, materials science has been facing an electronics revolution due to the fast progress in the development of organic semiconductors. In this context, the current study attempts to tune the photophysical properties of polycyclic aromatic hydrocarbons (PAHs) by engineering their morphology and size. Four families of PAHsoligoacenes, circulenes, triangulenes, and sunflowersare considered to investigate the evolution of their optoelectronic properties with size and morphology. Based on the calculated properties, several quantitative structure−property relationships have been established for the prediction of reorganization energy. It is found that morphologies like circulene and triangulene that are less aromatic and have smaller energy gaps achieve smaller reorganization energy and thus are better candidates for charge transport materials. For all considered PAHs, the excitation energies of the strongest lowlying electronic transition (β peak) span in the visible region and demonstrate the size tunability. The β peak of some oligoacene and triangulene families exhibits plasmonic behavior that is important for the fabrication of lighter optical devices compared with metallic systems. We have also explored the effect of sulfur heteroatoms on the structural, electronic, and optical properties of circulene and sunflower morphologies.

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Tuning the Properties of Tetracene‐Based Nanoribbons by Fluorination and N‐Doping

Cited by 10 publications

References 32 publications

The Spectroscopic and Antimicrobial Yield of Sol-Gel Derived Zinc Copper Silicate/E102 Nanoclusters

The Spectroscopic and Antimicrobial Yield of Sol-Gel Derived Zinc Copper Silicate/E102 Nanoclusters

A Stable Three‐Dimensional Porous Carbon as a High‐Performance Anode Material for Lithium, Sodium, and Potassium Ion Batteries

Toward More Efficient Organic Semiconductors: The Relationship between Morphology, Charge Transport, and Photophysical Properties

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