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

doi:10.1021/jp207197k

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

Research output: Contribution to journal › Article › peer-review

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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 Mg_xCo_100-x.

Original language	English
Pages (from-to)	20335-20345
Number of pages	11
Journal	Journal of Physical Chemistry C
Volume	115
Issue number	41
DOIs	https://doi.org/10.1021/jp207197k
State	Published - Oct 20 2011
Externally published	Yes

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title = "Insight into the hydrogenation properties of mechanically alloyed Mg 50Co50 from the local structure",

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.",

author = "Hyunjeong Kim and Jin Nakamura and Huaiyu Shao and Yumiko Nakamura and Etsuo Akiba and Chapman, {Karena W.} and Chupas, {Peter J.} and Thomas Proffen",

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doi = "10.1021/jp207197k",

language = "English",

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T1 - Insight into the hydrogenation properties of mechanically alloyed Mg 50Co50 from the local structure

AU - Kim, Hyunjeong

AU - Nakamura, Jin

AU - Shao, Huaiyu

AU - Nakamura, Yumiko

AU - Akiba, Etsuo

AU - Chapman, Karena W.

AU - Chupas, Peter J.

AU - Proffen, Thomas

PY - 2011/10/20

Y1 - 2011/10/20

N2 - 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.

AB - 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.

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JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 41

ER -

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

Abstract

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