Insight into the hydrogenation properties of mechanically alloyed Mg 50Co50 from the local structure

Hyunjeong Kim, Jin Nakamura, Huaiyu Shao, Yumiko Nakamura, Etsuo Akiba, Karena W. Chapman, Peter J. Chupas, Thomas Proffen

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Abstract

The local structure of mechanically alloyed Mg50Co50 and its deuteride, Mg50Co50D75, was investigated using the atomic pair distribution function (PDF) analysis of neutron and synchrotron X-ray total scattering data. The purpose of our study was to obtain the structural information of these amorphous alloys and understand their hydrogen storage properties. We found that the body centered cubic (bcc) structural model with the uniform distribution of Mg and Co atoms proposed by earlier studies was not able to explain neutron and X-ray PDFs at the same time. Our data suggest that the local environment of Mg is different from that of Co. A two-phase model composed of MgCo2 and Mg 2CoD5 (Mg2Co for the alloy sample) qualitatively reproduced the main features of experimental PDFs and explained the amount of hydrogen absorbed by MgxCo100-x.

Original languageEnglish
Pages (from-to)20335-20345
Number of pages11
JournalJournal of Physical Chemistry C
Volume115
Issue number41
DOIs
Publication statusPublished - Oct 20 2011

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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    Kim, H., Nakamura, J., Shao, H., Nakamura, Y., Akiba, E., Chapman, K. W., Chupas, P. J., & Proffen, T. (2011). Insight into the hydrogenation properties of mechanically alloyed Mg 50Co50 from the local structure. Journal of Physical Chemistry C, 115(41), 20335-20345. https://doi.org/10.1021/jp207197k