Journal ArticleDOI
Boron-substituted fullerenes—can they be one of the options for hydrogen storage?
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TLDR
In this article, the positions at which boron atoms are substituted in the fullerene network for easy hydrogenation of carbon nanomaterials have been identified for easy carbon dioxide hydrogenation.Abstract:
The need for an activator for hydrogenation of carbon nanomaterials is outlined. The positions at which boron atoms are substituted in the fullerene network have been identified for easy hydrogenation.read more
Citations
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The role of heteroatoms in carbon nanotubes for hydrogen storage
TL;DR: In this paper, the Universal Force Field and Density Functional Theory have been used to find the role of heteroatom substitution in carbon nanotubes as an activator for hydrogen adsorption/absorption.
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Hydrogen storage in boron substituted carbon nanotubes
TL;DR: In this paper, a template assisted synthesis of boron substituted carbon nanotubes was carried out by carbonization of hydroborane polymer in alumina membrane template using electron microscopic analysis, FT-Raman and FT-IR, XRD, X-ray photoelectron spectroscopy (XPS) and 13C and 11B MAS NMR.
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Boron substituted carbon nanotubes—How appropriate are they for hydrogen storage?
TL;DR: In this paper, the role of boron substitution in carbon nanotubes is demonstrated for activation and storage of hydrogen, and it is shown that this substitution can be used for a variety of applications.
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Constructing (super)alkali–boron-heterofullerene dyads: an effective approach to achieve large first hyperpolarizabilities and high stabilities in M3O–BC59 (M = Li, Na and K) and K@n-BC59 (n = 5 and 6)
TL;DR: These superalkali doped dyads M3O-BC59, formal donor-acceptor (DA) chromophores, exhibit not only excellent stability but also large first hyperpolarizability; therefore, they are expected to be potential candidates for excellent second-order NLO materials.
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Hydrogen storage on boron substituted carbon materials
TL;DR: In this paper, the hydrogen storage capacity of boron substituted carbon materials synthesized by the carbonization of resorcinol and triethylborate as carbon and Boron sources respectively is reported.
References
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Journal ArticleDOI
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
TL;DR: In this article, the Universal force field (UFF) is described, where the force field parameters are estimated using general rules based only on the element, its hybridization, and its connectivity.
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Hydrogen Storage in Single-Walled Carbon Nanotubes at Room Temperature
TL;DR: Masses of single-walled carbon nanotubes, synthesized by a semicontinuous hydrogen arc discharge method, were employed for hydrogen adsorption experiments in their as-prepared and pretreated states and show promise as an effective hydrogen storage material.
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Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes
Y. Ye,C. C. Ahn,C. Witham,Brent Fultz,Jie Liu,Andrew G. Rinzler,Daniel T. Colbert,Kenneth A. Smith,Richard E. Smalley +8 more
TL;DR: In this article, hydrogen adsorption on crystalline ropes of carbon single-walled nanotubes (SWNTs) was found to exceed 8 wt.%, which is the highest capacity of any carbon material.
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Hydrogen Storage in Graphite Nanofibers
TL;DR: Graphite nanofibers are a novel material that is produced from the dissociation of carbon-containing gases over selected metal surfaces as discussed by the authors, which consists of very small graphite platelets, 30−500...
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Further Studies of the Interaction of Hydrogen with Graphite Nanofibers
TL;DR: In this paper, the authors discuss some of the critical factors involved in the adsorption of molecular hydrogen and the influence that this process exerts on the performance of graphite nanofibers.