Interactions and Chemical Transformations of Coronene Inside and Outside Carbon Nanotubes
نویسندگان
چکیده
منابع مشابه
Interactions and chemical transformations of coronene inside and outside carbon nanotubes.
By exposing flat and curved carbon surfaces to coronene, a variety of van der Waals hybrid heterostructures are prepared, including coronene encapsulated in carbon nanotubes, and coronene and dicoronylene adsorbed on nanotubes or graphite via π-π interactions. The structure of the final product is determined by the temperature of the experiment and the curvature of the carbon surface. While at ...
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boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولOrdered and disordered packing of coronene molecules in carbon nanotubes.
Monte Carlo simulations of coronene molecules in single-walled carbon nanotubes (SWCNTs) and dicoronylene molecules in SWCNTs are performed. Depending on the diameter D of the encapsulating SWCNT, regimes favoring the formation of ordered, one-dimensional (1D) stacks of tilted molecules (D ≤ 1.7 nm for coronene@SWCNT, 1.5 nm ≤ D ≤ 1.7 nm for dicoronylene@SWCNT) and regimes with disordered molec...
متن کاملDensity, distribution, and orientation of water molecules inside and outside carbon nanotubes.
The behavior of water molecules inside and outside 1.1, 2.8, 6.9, and 10.4 nm diameter armchair carbon nanotubes (CNTs) is predicted using molecular dynamics simulations. The effects of CNT diameter on mass density, molecular distribution, and molecular orientation are identified for both the confined and unconfined fluids. Within 1 nm of the CNT surface, unconfined water molecules assume a spa...
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Defining space by dividing it to inside and outside is one of human’s ways to recognize his positionin environment. Architecture is created to response to this need for inside/outside spaces. Design of inside and outsideSpaces and relation between them always has been one of necessities for definition and limitation of human livingspaces, but little attention to relation of this two spatial rea...
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ژورنال
عنوان ژورنال: Small
سال: 2013
ISSN: 1613-6810
DOI: 10.1002/smll.201302613