Desorption reaction in MgH2 studied with in situ μ+SR

Sugiyama, Jun; Umegaki, Izumi; Matsumoto, Mitsuru; Miwa, Kenji; Nozaki, Hirōshi; Higuchi, Yuki; Noritake, Tatsuo; Forslund, Ola Kenji; Må̊nsson, Martin; Cottrell, Stephen P.; Koda, A.; Ansaldo, Eduardo J.; Brewer, Jess H.

doi:10.1039/c8se00568k

Cited by 11 publications

(5 citation statements)

References 54 publications

(74 reference statements)

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“…To the best of our knowledge, there are two in situ μ + SR works reported: , one clarified a hydrogen desorption reaction in MgH 2 and the other studied ion dynamics in an all solid state battery . However, due to a limited counting rate of μ + SR at that time, both works were performed under constant conditions: namely, the former was under constant temperatures and the latter was under constant potentials.…”

Section: Introductionmentioning

confidence: 99%

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO₂ Half-Cell

Ohishi

Igarashi

Tatara

et al. 2022

ACS Appl. Energy Mater.

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The self-diffusion coefficient of Li+ ions (D Li J) in Li x CoO2 has been determined during charge and discharge reactions of a LiCoO2 half-cell using a positive muon spin rotation and relaxation (μ+SR) technique through the observation of the fluctuating nuclear magnetic field at room temperature: specifically, with an operando μ+SR technique in the half-cell potential range between 3.0 and 4.7 V. The estimated D Li J was found to range between 10–12 and 10–11 cm2/s and increase as Li content (x) decreased. Although the slope (dD Li J/dx) was relatively steep below the vicinity of x = 1, D Li J slowly increases with decreasing x at x < 0.8 with two small minima at x ∼ 2/3 and x ∼ 1/2. The obtained result in the initial charging process agreed with that obtained in the second charging process. Furthermore, it was discovered that the change in D Li J with x is similar to that of the reported self-diffusion coefficient estimated using an electrochemical technique for a film sample. By combining with the electrochemical measurement, the x dependence of the reactive surface area of the Li x CoO2 electrode was first determined, while it was assumed to be independent of x.

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Section: Introductionmentioning

confidence: 99%

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO₂ Half-Cell

Ohishi

Igarashi

Tatara

et al. 2022

ACS Appl. Energy Mater.

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“…As shown in figure 4(e), ∆ KT is 0.30-0.36 MHz in all temperature regions, while it is calculated to be greater than 0.63 MHz for any interstitial site without lattice relaxation. Although an exotic Mu state in which Mu is delocalized over two neighboring sites has been proposed in previous studies [31], another possibility is more likely from DFT calculations for H, as discussed below.…”

Section: Resultsmentioning

confidence: 90%

Local electronic structure of interstitial hydrogen in MgH₂ inferred from muon study

Kadono¹,

Hiraishi²,

Okabe³

et al. 2023

J. Phys.: Condens. Matter

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Magnesium hydride has great potential as a solid hydrogen (H) storage material because of its high H storage capacity of 7.6 wt%. However, its slow hydrogenation and dehydrogenation kinetics and the high temperature of 300 ◦C required for decomposition are major obstacles to small-scale applications such as automobiles. The local electronic structure of interstitial H in MgH2 is an important fundamental knowledge in solving this problem, which has been studied mainly based on density functional theory (DFT). However, few experimental studies have been performed to assess the results of DFT calculations. We have therefore introduced muon (Mu) as pseudo-H into MgH2 and investigated the corresponding interstitial H states by analyzing their electronic and dynamical properties in detail. As a result, we observed multiple Mu states similar to those observed in wide-gap oxides, and found that their electronic states can be attributed to relaxed-excited states associated with donor/acceptor levels predicted by the recently proposed “ambipolarity model”. This provides an indirect support for the DFT calculations on which the model is based via the donor/acceptor levels. An important implication of the muon results for improved hydrogen kinetics is that dehydrogenation, serving as a reduction for hydrides, stabilises the interstitial H− state.

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“…26,49 However, since then there has been a strong and steady increase of such reports in the published literature, covering ex situ material studies for batteries 15,17,50,51 which has also recently been explored with m − SR, 52 H-storage, 53 and photovoltaics, 54 as well as more recent in situ/operando investigations. [55][56][57] The principle behind this rather unique method lies in the ability of the particle probe (anti-muons m + ) to detect uctuating magnetic moments, originating from ion diffusion in solids. 58 As the spin polarized muon beam is implanted into the sample, the muon spin precesses according to the local magnetic environment.…”

Section: Na-ion Diffusion Studied By M + Srmentioning

confidence: 99%

Na-ion dynamics in the solid solution Na_xCa_1−xCr₂O₄ studied by muon spin rotation and neutron diffraction

Nocerino,

Forslund,

Sakurai

et al. 2024

Sustainable Energy Fuels

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Desorption reaction in MgH₂ studied with in situ μ⁺SR

Abstract: To study the mechanism determining the desorption temperature of hydrogen storage materials, we have measured muon spin rotation and relaxation (μ+SR) in MgH2 together with the pressure in the sample space.

Cited by 11 publications

References 54 publications

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO₂ Half-Cell

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO₂ Half-Cell

Local electronic structure of interstitial hydrogen in MgH₂ inferred from muon study

Na-ion dynamics in the solid solution Na_xCa_1−xCr₂O₄ studied by muon spin rotation and neutron diffraction

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Desorption reaction in MgH2 studied with in situ μ+SR

Abstract: To study the mechanism determining the desorption temperature of hydrogen storage materials, we have measured muon spin rotation and relaxation (μ+SR) in MgH2 together with the pressure in the sample space.

Cited by 11 publications

References 54 publications

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO2 Half-Cell

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO2 Half-Cell

Local electronic structure of interstitial hydrogen in MgH2 inferred from muon study

Na-ion dynamics in the solid solution NaxCa1−xCr2O4 studied by muon spin rotation and neutron diffraction

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Desorption reaction in MgH₂ studied with in situ μ⁺SR

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO₂ Half-Cell

Operando Muon Spin Rotation and Relaxation Measurement on LiCoO₂ Half-Cell

Local electronic structure of interstitial hydrogen in MgH₂ inferred from muon study

Na-ion dynamics in the solid solution Na_xCa_1−xCr₂O₄ studied by muon spin rotation and neutron diffraction