Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering

Yumiko Nakamura; Hyunjeong Kim; Saishun Yamazaki; Kouji Sakaki; Thomas Proffen; Etsuo Akiba

doi:10.1557/opl.2011.1310

Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering

Yumiko Nakamura, Hyunjeong Kim, Saishun Yamazaki, Kouji Sakaki, Thomas Proffen, Etsuo Akiba

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

2 Scopus citations

Abstract

Crystal and local structures and hydrogen occupation of Mg containing materials, (Mg,Ca)Ni _x(x = 2, 3) intermetallic compounds and a MgCo metastable alloy, have been investigated using in-situ and ex-situ X-ray/neutron diffraction and total scattering. A C15 Laves phase (Mg _0.67Ca _0.33)Ni ₂ showed isotropic lattice expansion upon hydrogenation. Mg and Ca occupied the same site randomly. It has two hydrogen sites, Mg(Ca) ₂Ni ₂ site and M(Ca)Ni ₃ site. Mg ₂CaNi ₉, MgCa ₂Ni ₉, and CaNi ₃ compounds consisted of MgZn ₂-type (Mg,Ca) ₂Ni ₄ cell and CaCu ₅-type CaNi ₅ cell stacking along the c-axis. The MgZn ₂-type cell was occupied by only Mg in Mg ₂CaNi ₉, and randomly occupied by both Mg and Ca in MgCa ₂Ni ₉. Expansion of this cell strongly depended on the composition: larger expansion was observed in a Ca-rich composition. Local structure of a Mg-Co alloy synthesized by mechanical alloying has been studied using the PDF (Pair Distribution Function) method. The analysis suggested that material contained two 1-2 nm domains with different compositions and local structures, i.e. Mg-rich and Co-rich domains, and hydrogen was located only in the Mg-rich domain.

Original language	English
Title of host publication	Recent Developments in Materials for Hydrogen Storage and Carbon-Capture Technologies
Pages	13-17
Number of pages	5
DOIs	https://doi.org/10.1557/opl.2011.1310
State	Published - 2011
Event	2011 MRS Spring Meeting - San Francisco, CA, United States Duration: Apr 25 2011 → Apr 29 2011

Publication series

Name	Materials Research Society Symposium Proceedings
Volume	1334
ISSN (Print)	0272-9172

Conference

Conference	2011 MRS Spring Meeting
Country/Territory	United States
City	San Francisco, CA
Period	04/25/11 → 04/29/11

Funding

Part of this work was supported by the New Energy and Industrial Technology Development Organization (NEDO) under Advanced Fundamental Research on Hydrogen Storage aterialsMYDR-(STAR. HO) Thetudy on(sg)i2lMloysaNsa,owtedcCnolabntioit hM .lw.aoierdcsnhNta aTruirac and Mr.S. TsunokakeapanoetJalsnmaic alsftdMdCeurffrctio .oeatsuaroCm ennNne.th , m deLi conducted atEasIuwedsFrpauck. HE.y bIhpbr BdatFioSonoy-rroyaiaon.fcn r Dtt Xra measurementtPSasAuwedsr. Chupaps. ro bAaptioglPNabtofLyonoor ranDyrtan. e Synthesisnd characaterzatiogi-CllMoneruwedsyeor .. Npakou s ,Hs .hoJb pa mfrSa,yao rDt and J. MatsudaIST.oAf

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10.1557/opl.2011.1310

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Nakamura, Y., Kim, H., Yamazaki, S., Sakaki, K., Proffen, T., & Akiba, E. (2011). Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering. In Recent Developments in Materials for Hydrogen Storage and Carbon-Capture Technologies (pp. 13-17). (Materials Research Society Symposium Proceedings; Vol. 1334). https://doi.org/10.1557/opl.2011.1310

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title = "Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering",

abstract = "Crystal and local structures and hydrogen occupation of Mg containing materials, (Mg,Ca)Ni x(x = 2, 3) intermetallic compounds and a MgCo metastable alloy, have been investigated using in-situ and ex-situ X-ray/neutron diffraction and total scattering. A C15 Laves phase (Mg 0.67Ca 0.33)Ni 2 showed isotropic lattice expansion upon hydrogenation. Mg and Ca occupied the same site randomly. It has two hydrogen sites, Mg(Ca) 2Ni 2 site and M(Ca)Ni 3 site. Mg 2CaNi 9, MgCa 2Ni 9, and CaNi 3 compounds consisted of MgZn 2-type (Mg,Ca) 2Ni 4 cell and CaCu 5-type CaNi 5 cell stacking along the c-axis. The MgZn 2-type cell was occupied by only Mg in Mg 2CaNi 9, and randomly occupied by both Mg and Ca in MgCa 2Ni 9. Expansion of this cell strongly depended on the composition: larger expansion was observed in a Ca-rich composition. Local structure of a Mg-Co alloy synthesized by mechanical alloying has been studied using the PDF (Pair Distribution Function) method. The analysis suggested that material contained two 1-2 nm domains with different compositions and local structures, i.e. Mg-rich and Co-rich domains, and hydrogen was located only in the Mg-rich domain.",

author = "Yumiko Nakamura and Hyunjeong Kim and Saishun Yamazaki and Kouji Sakaki and Thomas Proffen and Etsuo Akiba",

year = "2011",

doi = "10.1557/opl.2011.1310",

language = "English",

isbn = "9781618395306",

series = "Materials Research Society Symposium Proceedings",

pages = "13--17",

booktitle = "Recent Developments in Materials for Hydrogen Storage and Carbon-Capture Technologies",

note = "2011 MRS Spring Meeting ; Conference date: 25-04-2011 Through 29-04-2011",

}

Nakamura, Y, Kim, H, Yamazaki, S, Sakaki, K, Proffen, T & Akiba, E 2011, Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering. in Recent Developments in Materials for Hydrogen Storage and Carbon-Capture Technologies. Materials Research Society Symposium Proceedings, vol. 1334, pp. 13-17, 2011 MRS Spring Meeting, San Francisco, CA, United States, 04/25/11. https://doi.org/10.1557/opl.2011.1310

Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering. / Nakamura, Yumiko; Kim, Hyunjeong; Yamazaki, Saishun et al.
Recent Developments in Materials for Hydrogen Storage and Carbon-Capture Technologies. 2011. p. 13-17 (Materials Research Society Symposium Proceedings; Vol. 1334).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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T1 - Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering

AU - Nakamura, Yumiko

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AU - Proffen, Thomas

AU - Akiba, Etsuo

PY - 2011

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N2 - Crystal and local structures and hydrogen occupation of Mg containing materials, (Mg,Ca)Ni x(x = 2, 3) intermetallic compounds and a MgCo metastable alloy, have been investigated using in-situ and ex-situ X-ray/neutron diffraction and total scattering. A C15 Laves phase (Mg 0.67Ca 0.33)Ni 2 showed isotropic lattice expansion upon hydrogenation. Mg and Ca occupied the same site randomly. It has two hydrogen sites, Mg(Ca) 2Ni 2 site and M(Ca)Ni 3 site. Mg 2CaNi 9, MgCa 2Ni 9, and CaNi 3 compounds consisted of MgZn 2-type (Mg,Ca) 2Ni 4 cell and CaCu 5-type CaNi 5 cell stacking along the c-axis. The MgZn 2-type cell was occupied by only Mg in Mg 2CaNi 9, and randomly occupied by both Mg and Ca in MgCa 2Ni 9. Expansion of this cell strongly depended on the composition: larger expansion was observed in a Ca-rich composition. Local structure of a Mg-Co alloy synthesized by mechanical alloying has been studied using the PDF (Pair Distribution Function) method. The analysis suggested that material contained two 1-2 nm domains with different compositions and local structures, i.e. Mg-rich and Co-rich domains, and hydrogen was located only in the Mg-rich domain.

AB - Crystal and local structures and hydrogen occupation of Mg containing materials, (Mg,Ca)Ni x(x = 2, 3) intermetallic compounds and a MgCo metastable alloy, have been investigated using in-situ and ex-situ X-ray/neutron diffraction and total scattering. A C15 Laves phase (Mg 0.67Ca 0.33)Ni 2 showed isotropic lattice expansion upon hydrogenation. Mg and Ca occupied the same site randomly. It has two hydrogen sites, Mg(Ca) 2Ni 2 site and M(Ca)Ni 3 site. Mg 2CaNi 9, MgCa 2Ni 9, and CaNi 3 compounds consisted of MgZn 2-type (Mg,Ca) 2Ni 4 cell and CaCu 5-type CaNi 5 cell stacking along the c-axis. The MgZn 2-type cell was occupied by only Mg in Mg 2CaNi 9, and randomly occupied by both Mg and Ca in MgCa 2Ni 9. Expansion of this cell strongly depended on the composition: larger expansion was observed in a Ca-rich composition. Local structure of a Mg-Co alloy synthesized by mechanical alloying has been studied using the PDF (Pair Distribution Function) method. The analysis suggested that material contained two 1-2 nm domains with different compositions and local structures, i.e. Mg-rich and Co-rich domains, and hydrogen was located only in the Mg-rich domain.

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M3 - Conference contribution

AN - SCOPUS:84860546373

SN - 9781618395306

T3 - Materials Research Society Symposium Proceedings

SP - 13

EP - 17

BT - Recent Developments in Materials for Hydrogen Storage and Carbon-Capture Technologies

T2 - 2011 MRS Spring Meeting

Y2 - 25 April 2011 through 29 April 2011

ER -

Structural studies of hydrogen storage alloys using x-ray/neutron diffraction and total scattering

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