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Hetero-atoms as activation centers for hydrogen absorption in carbon nanotubes
Balasubramanian Viswanathan, M. Sankaran
Published in
2009
Volume: 18
   
Issue: 2-3
Pages: 429 - 432
Abstract
Carbon materials should have specific centers for hydrogen adsorption/absorption. The role of heteroatom substitution in carbon nanotubes as an activator has been identified by Density Functional Theory. The effect of various hetero-atoms like nitrogen, phosphorus, sulphur and boron for hydrogen activation and their geometrical positions has been recognized as the one of the possible reasons for easy hydrogenation. Experimentally, nitrogen and boron containing carbon nanotubes have been synthesized by using template method. The hydrogen absorption capacity of these materials has been evaluated. It is shown that, there is a need to stabilize nitrogen in the carbon nanotube framework for reproducible hydrogen uptake. In the case of boron containing carbon nanotubes, two different chemical environment of boron facilitates hydrogen interaction. They exhibit a maximum of 2 wt.% of hydrogen storage capacity at 80 bar and 300 K. This configuration has a bearing in hydrogen sorption characteristics. © 2008 Elsevier B.V. All rights reserved.
About the journal
JournalDiamond and Related Materials
ISSN09259635
Open AccessNo
Concepts (35)
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    Absorption
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    Atomic physics
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    Atoms
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    Boron
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    Boron compounds
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    Chemical activation
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    Density functional theory
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    Hydrogen
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    Hydrogen storage
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    Nanocomposites
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    Nanostructured materials
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    Nanotubes
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    Nitrogen
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    Nonmetals
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    Phosphorus
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    Programming theory
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    Sorption
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    Sulfur
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    ACTIVATION CENTERS
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    Boron-containing
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    Carbon materials
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    CARBON NANOMATERIALS
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    CHEMICAL ENVIRONMENTS
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    GEOMETRICAL POSITIONS
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    HETERO-ATOMS
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    HETEROATOM SUBSTITUTIONS
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    HYDROGEN ABSORPTIONS
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    HYDROGEN ACTIVATIONS
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    HYDROGEN INTERACTIONS
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    HYDROGEN SORPTIONS
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    Hydrogen storage capacities
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    HYDROGEN UPTAKES
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    TEMPLATE METHODS
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    VOLUMETRIC METHOD
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    Carbon nanotubes