Geometry Effect on Graphene Nanoscrolls Band Gap

Hamzah, Muhammad Afiq Nurudin; Johari, Zaharah; Hamid, F. K. A.; Ahmadi, Mohammad Taghi; Ismail, Razali

doi:10.1166/jctn.2013.2737

Cited by 3 publications

(2 citation statements)

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“…On the other hand, it is known that carbon black nano-and micro-particles have onionlike structures formed by concentrically arranged graphene sheets. Examples are closedcage fullerenes spheres [63,64], onion-like graphitic spheres [65], nautilus-like fullerene spirals [66,67], and graphene nano-scrolls structured as Archimedean spirals [68][69][70][71][72]. The occurrence of spiral fullerenes and graphenes support the possibility that an oligo-or poly-BQPoe chain could also grow as spiral structures [33].…”

Section: Molecular Structure Of Eumelaninmentioning

confidence: 99%

Melanin-Binding Colorants: Updating Molecular Modeling, Staining and Labeling Mechanisms, and Biomedical Perspectives

2022

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Melanin and melanoma tumors are two fields of increasing interest in biomedical research. Melanins are ubiquitous biopigments with adaptive value and multiple functions, and occur in the malignant melanoma. Although several chemical structures have been proposed for eumelanin, molecular modeling and orbitals indicate that a planar or spiral benzoquinone-porphycene polymer would be the model that better explains the broad-band light and ultrasound absorption, electric conductivity, and graphite-like organization shown by X-ray crystallography and electron microscopy. Lysosomes and melanosomes are selectively labeled by vital probes, and melanin also binds to metal cations, colorants, and drugs, with important consequences in pharmacology, pathology, and melanoma therapy. In addition to traditional and recent oncologic treatments, photodynamic, photothermal, and ultrasound protocols represent novel modalities for melanoma therapy. Since eumelanin is practically the ideal photothermal and ultrasound sensitizer, the vibrational decay from photo-excited electrons after NIR irradiation, or the electrochemical production of ROS and radicals after ultrasound absorption, induce an efficient heating or oxidative response, resulting in the damage and death of tumor cells. This allows repetitive treatments due to the remaining melanin contained in tumoral melanophages. Given that evolution and prognosis of the advanced melanoma is still a concern, new biophysical procedures based on melanin properties can now be developed and applied.

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Section: Molecular Structure Of Eumelaninmentioning

confidence: 99%

Melanin-Binding Colorants: Updating Molecular Modeling, Staining and Labeling Mechanisms, and Biomedical Perspectives

2022

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“…The major driving force behind these materials lies in the fact that, by engineering their atomic structure, we can open an energy band gap in these materials. [7][8][9] Formation of silicene was first reported in 2010 by Aufray et al 10 at the University of Central Florida. In the same year, growth of silicene on Ag (110) substrate was reported by Padova, et al 11 The fabrication of silicene and silicene nanoribbons on Ag (110) and Ag (111) substrates has been reported by experimentalists.…”

Section: Introductionmentioning

confidence: 99%

Spin Transport in Lithiated Silicene (Silicel)

Bishnoi¹,

Ghosh²

2014

Jnl of Comp & Theo Nano

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In this article, we have investigated spin polarized electronic transport in Lithiated Silicene (silicel) using semi-classical Monte-Carlo approach. Monte Carlo simulations are used to model spin transport along with spin density matrix calculations in the semiconductor devices. Dephasing of the spin vectors in Lithiated Silicene is due to D'yakonov-Perel (DP) and Elliott-Yafet (EY) relaxation mechanisms. In this article, we theoretically studied spin polarized electronic transport along the length of the Lithiated Silicene structure and the spin dephasing length is estimated to be in the range of 2 um for Lithiated Silicene. Next, we investigated the ensemble averaged spin vector variation along the length of the Lithiated Silicene with varying temperature. We observe a negligible variation in the spin dephasing length in the temperature range of 4 K to 373 K. As the temperature increases from 1000 K to 10000 K, we find a decrease in the spin dephasing length. In our study, we find that Lithiated Silicene is a promising candidate for next generation spintronics devices.

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Scroll configurations of carbon nanoribbons

2015

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Carbon nanoscroll is a unique topologically open configuration of graphene nanoribbon possessing outstanding properties and application perspectives due to its morphology. However molecular dynamics study of nanoscrolls with more than a few coils is limited by computational power. Here, we propose a simple model of the molecular chain moving in the plane, allowing to describe the folded and rolled packaging of long graphene nanoribbons. The model is used to describe a set of possible stationary states and the low-frequency oscillation modes of isolated single-layer nanoribbon scrolls as the function of the nanoribbon length. Possible conformational changes of scrolls due to thermal fluctuations are analyzed and their thermal stability is examined. Using the full-atomic model, frequency spectrum of thermal vibrations is calculated for the scroll and compared to that of the flat nanoribbon. It is shown that the density of phonon states of the scroll differs from the one of the flat nanoribbon only in the low (ω < 100 cm −1 ) and high (ω > 1450 cm −1 ) frequency ranges. Finally, the linear thermal expansion coefficient for the scroll outer radius is calculated from the long-term dynamics with the help of the developed planar chain model. The scrolls demonstrate anomalously high coefficient of thermal expansion and this property can find new applications.

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Geometry Effect on Graphene Nanoscrolls Band Gap

Cited by 3 publications

References 0 publications

Melanin-Binding Colorants: Updating Molecular Modeling, Staining and Labeling Mechanisms, and Biomedical Perspectives

Melanin-Binding Colorants: Updating Molecular Modeling, Staining and Labeling Mechanisms, and Biomedical Perspectives

Spin Transport in Lithiated Silicene (Silicel)

Scroll configurations of carbon nanoribbons

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