A finite-length capped single-walled carbon nanotube (5, 5) under an applied electric field
نویسندگان
چکیده
منابع مشابه
Theoretical study of functionalized single-walled carbon nanotube (5, 5) with Mitoxantrone drug
Objective(s): First principles calculations were performed to study four multiple sclerosis drugs namely, Ampyra, Fingolimod, Mitoxantrone and Eliprodil in gas and liquid phases using Density Functional Theory (DFT). Computational chemistry simulations were carried out to compare calculated quantum chemical parameters for Ampyra, Fingolimod, Mitoxantrone and Eliprodil. Materials and Methods: Al...
متن کاملtheoretical study of functionalized single-walled carbon nanotube (5, 5) with mitoxantrone drug
objective(s): first principles calculations were performed to study four multiple sclerosis drugs namely, ampyra, fingolimod, mitoxantrone and eliprodil in gas and liquid phases using density functional theory (dft). computational chemistry simulations were carried out to compare calculated quantum chemical parameters for ampyra, fingolimod, mitoxantrone and eliprodil. materials and methods: al...
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This study investigates the electronic properties of finite-length armchair carbon nanotubes in an electric field (E) using a single-pi-band tight-binding model. Three different tip configurations are considered, namely, open ends with hydrogen terminations (H-terminations), one end capped with half of C60 fullerene and the other end open with H-terminations, and both ends capped with half of C...
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Heat conduction of finite length single walled carbon nanotubes (SWNTs) was simulated by the molecular dynamics method with Tersoff-Brenner bond order potential. Temperature at each end of a SWNT was controlled by the phantom technique, and the thermal conductivity was calculated with Fourier’s law from the measured temperature gradient and the energy budgets in phantom molecules. The measured ...
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Single walled carbon nanotubes (SWNTs) have emerged as a very promising new class of electronic materials. The fabrication and electronic properties of devices based on individual SWNTs are reviewed. Both metallic and semiconducting SWNTs are found to possess electrical characteristics that compare favorably to the best electronic materials available. Manufacturability issues, however, remain a...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2014
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/541/1/012008