Hydrogen Storage on Platinum-Decorated Carbon Nanotubes with Boron, Nitrogen Dopants or Sidewall Vacancies

Zhou, Jian Ge; Williams, Quinton L.

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Home > Journal of Nano Research > Journal of Nano Research Vol. 15 > Hydrogen Storage on Platinum-Decorated Carbon...

Paper Title:

Hydrogen Storage on Platinum-Decorated Carbon Nanotubes with Boron, Nitrogen Dopants or Sidewall Vacancies

Periodical	Journal of Nano Research (Volume 15)
Main Theme	Journal of Nano Research Vol. 15
Edited by	N/A
Pages	29-40
DOI	10.4028/www.scientific.net/JNanoR.15.29
Citation	Jian Ge Zhou et al., 2011, Journal of Nano Research, 15, 29
Online since	September, 2011
Authors	Jian Ge Zhou, Quinton L. Williams
Keywords	Carbon Nanotube (CNT), Dopant, Hydrogen Storage, Transition Metal
Price	US$ 28,-

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Abstract

The interaction between hydrogen molecules and platinum (Pt)-decorated carbon nanotubes (CNTs) with boron (B)-, nitrogen (N)-dopants or sidewall vacancies is discussed from first-principle calculations. The adsorption patterns of hydrogen molecules on four types of Pt-decorated CNTs are investigated, and the partial density of states projected on the Pt atom is computed to reveal the response to the number of hydrogen molecules, dopants or vacancies. It is found that the B-, N-dopants or sidewall vacancies can adjust the binding energy between the hydrogen molecules and the Pt atom deposited on the defective CNT, while not reducing the maximum number of hydrogen molecules that are chemically adsorbed on the Pt atom. It is demonstrated that the binding energy of the first H2 and the Pt atom on the pristine CNT or the CNT with the B-, N-dopants is quite strong, so each Pt atom in these three cases can only release the second H2 under ambient conditions. However, when the Pt atom is deposited on the CNT with sidewall vacancies, it can adsorb and desorb two hydrogen molecules under ambient conditions.