10.1186/2228-5326-2-5

Retracted: Computational study of hydrogen adsorption on potassium-decorated boron nitride nanotubes

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  • Md Shahzad Khan1,
  • Mohd Shahid Khan*1,
  1. Department of Physics, Jamia Millia Islamia (Central University), New Delhi, 110025, IN
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Published in Issue 2012-04-27

How to Cite

Khan, M. S., & Khan, M. S. (2012). Retracted: Computational study of hydrogen adsorption on potassium-decorated boron nitride nanotubes. International Nano Letters, 2(1 (December 2012). https://doi.org/10.1186/2228-5326-2-5
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Abstract

Retraction This article was mistakenly published twice. For this reason this duplicate article has now been retracted. For citation purposes please cite the original: http://www.inljournal.com/?_action=articleInfo&article=19 Abstract We have investigated the potassium-decorated boron nitride nanotubes for hydrogen storage using semi-empirical AM1 method. The ultra narrow (3,3) and (5,0) boron nitride nanotubes of same diameter but of different chirality have been used. Both of them show hydrogen storage greater than 8 % by weight. Density of states have been calculated, and it is found that the presence of alpha density of state of potassium results in smaller energy gap; as a result of which, the conductivity of the potassium-decorated boron nitride nanotubes is enhanced as compared to pristine boron nitride nanotubes. Charge decomposition analysis showed that there is significant transfer of charge from adsorbate potassium to boron nitride nanotubes; the same is also confirmed by Mulliken population analysis. For same diameter, due to different electronic configuration, zigzag tube is found to be slightly more favorable for hydrogen adsorption. The results of the present simulation study suggest that the potassium-decorated boron nitride nanotubes are good candidate for hydrogen adsorption.

Keywords

  • Potassium decorated,
  • Boron nitride nanotubes,
  • Semi-empirical method,
  • Hydrogen storage,
  • Binding energy,
  • Density of states
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