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Theoretical Modeling of Hydrogen Polycondensation on Carbon Nanotubular Surfaces

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Abstract:

The prediction of self-organizing of hydrogen on the carbon nanotubular surface was suggested. The analysis of stability quantum-sized systems of nanotubular carbon and hydrogen adsorbate was given. Theoretical results of computer simulation reveal the mechanism of high hydrogen storage of carbon nanotubular accumulators. It is shown that effectiveness of atomic and molecular hydrogen adsorptions on the nanotubular surface is a result of contact exchange supramolecular adhesion forces acting in polycondensate. These bonds provide a stability of hydrogen polycondensate to its decay to hydrogen gas molecules at overflow of critical abundance of hydrogen over weight 11% in the adsorbate monolayer.

Keywords: COMPUTER NANOTECHNOLOGY; HYDROGEN POLYCONDENSATION; NANOTUBULAR CARBON ACCUMULATOR

Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jnn.2009.C167

Publication date: February 1, 2009

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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