Energy research with neutrons (ErwiN) and installation of a fast neutron powder diffraction option at the MLZ, Germany

Heere, Michael; Mühlbauer, Martin; Schökel, Alexander; Knapp, Michael; Ehrenberg, Helmut; Senyshyn, Anatoliy

doi:10.1107/s1600576718004223

Cited by 14 publications

(12 citation statements)

References 21 publications

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“…A1, model 3 seems the best to describe the local Mg disorder for the SRO. In future, neutron powder diffraction measurements are planned especially within the frame of the "Energy research with Neutrons (ErwiN)" instrument at the MLZ, Germany 21 .…”

Section: Resultsmentioning

confidence: 99%

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Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors

Heere

Hansen

Payandeh

et al. 2020

Sci Rep

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Rechargeable solid-state magnesium batteries are considered for high energy density storage and usage in mobile applications as well as to store energy from intermittent energy sources, triggering intense research for suitable electrode and electrolyte materials. Recently, magnesium borohydride, Mg(BH 4) 2 , was found to be an effective precursor for solid-state Mg-ion conductors. During the mechanochemical synthesis of these Mg-ion conductors, amorphous Mg(BH 4) 2 is typically formed and it was postulated that this amorphous phase promotes the conductivity. Here, electrochemical impedance spectroscopy of as-received γ-Mg(BH 4) 2 and ball milled, amorphous Mg(BH 4) 2 confirmed that the conductivity of the latter is ~2 orders of magnitude higher than in as-received γ-Mg(BH 4) 2 at 353 K. Pair distribution function (PDF) analysis of the local structure shows striking similarities up to a length scale of 5.1 Å, suggesting similar conduction pathways in both the crystalline and amorphous sample. Up to 12.27 Å the PDF indicates that a 3D net of interpenetrating channels might still be present in the amorphous phase although less ordered compared to the as-received γ-phase. However, quasi elastic neutron scattering experiments (QenS) were used to study the rotational mobility of the [BH 4 ] units, revealing a much larger fraction of activated [BH 4 ] rotations in amorphous Mg(BH 4) 2. These findings suggest that the conduction process in amorphous Mg(BH 4) 2 is supported by stronger rotational mobility, which is proposed to be the so-called "paddle-wheel" mechanism. Energy storage is one of the grand challenges for present and future generations. In recent years, intermittent renewable energy production has increased worldwide resulting in a high demand for energy storage systems. "Beyond Li-batteries", which are all-solid-state batteries with alternative working ions, including Na and Mg, are considered a promising alternative as they are cheaper and with respect to their natural abundancy more sustainable. However, the transport properties of larger Na + or double-charged Mg 2+ are challenging and directly correlated to the underlying crystal structure and dynamics. Understanding the accompanying structural and dynamic changes as well as finding high-performance cathode materials remain bottlenecks for the improvement of Mg-ion batteries 1. Mg-ion batteries (MIBs) have several advantages compared to Li-ion technology 2. For instance, the low electrochemical potential of −2.4 V (vs. standard hydrogen electrode (SHE)) is close to the one of Li with −3.0 V of Li/Li + , which allows for high cell voltages. Furthermore, Mg metal has a higher volumetric capacity of 3833 mA•cm −3 compared to 2036 mAh•cm −3 of Li metal, and magnesium has a higher natural abundancy of

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Section: Resultsmentioning

confidence: 99%

“…The corresponding pair distribution function was calculated using the program PDFgetX3 with a Q max = 23.8 Å −155 . In future, neutron powder diffraction measurements are planned especially within the frame of the "Energy research with Neutrons (ErwiN)" instrument at the MLZ, Germany 21 .…”

Section: Experimental Methodsmentioning

confidence: 99%

Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors

Heere

Hansen

Payandeh

et al. 2020

Sci Rep

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“…A clearer picture could be gained if operando NPD was used during a whole cycle for the different fatigue states. Operando neutron powder diffraction experiments are planned for the future at finely controlled temperatures within the framework of the “energy research with neutrons (ErwiN)” project at MLZ . Postmortem studies are also underway to elucidate the sudden increase in internal resistance observed for the 35E cells.…”

Section: Resultsmentioning

confidence: 99%

Fatigue in High-Energy Commercial Li Batteries while Cycling at Standard Conditions: An In Situ Neutron Powder Diffraction Study

Sørensen

Heere

Zhu

et al. 2020

ACS Appl. Energy Mater.

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Commercially available 18650 Li-ion batteries are considered for high energy density storage and usage in mobile applications as well as to store energy from intermittent energy sources. This has triggered intense research for suitable electrode and electrolyte materials, while their current stateof-the-art, temperature dependent performance is hardly described in detail. The fatigue process in two brands of rechargeable commercial high-energy Li-ion batteries (18650-type, 3500 mAh, LiNi 0.83 Mn 0.07 Co 0.11 O 2 (NMC-811) and LiNi 0.86 Co 0.11 Al 0.03 O 2 (NCA)) as a function of cycling temperature has been investigated using in-situ neutron powder diffraction (NPD) and electrochemical impedance spectroscopy (EIS). The batteries (~140) were cycled at conditions specified by the manufacturer and simulated realistic user conditions with good statistics. Cycling temperature (25, 35 and 45 °C) had a significant influence on the capacity fade with 35 °C showing the highest capacity retention. The NCA

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“…Notably, SPICA is dedicated to battery measurement, providing most of its time directly to industry for proprietary use. Future instrumentation useful for high speed battery measurement is proposed, such as the “high‐flux medium‐resolution” diffractometer ErwiN (MLZ, Germany), as well as detector upgrades to the HRFD and POLARIS instruments.…”

Section: Experimental Aspects Of In Operando Neutron Powder Diffractimentioning

confidence: 99%

Understanding Rechargeable Battery Function Using In Operando Neutron Powder Diffraction

et al. 2019

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The performance of rechargeable batteries is influenced by the structural and phase changes of components during cycling. Neutron powder diffraction (NPD) provides unique and useful information concerning the structure–function relation of battery components and can be used to study the changes to component phase and structure during battery cycling, known as in operando measurement studies. The development and use of NPD for in operando measurements of batteries is summarized along with detailed experimental approaches that impact the insights gained by these. A summary of the information gained concerning battery function using in operando NPD measurements is provided, including the structural and phase evolution of electrode materials and charge‐carrying ion diffusion pathways through these, which are critical to the development of battery technology.

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Energy research with neutrons (ErwiN) and installation of a fast neutron powder diffraction option at the MLZ, Germany

Abstract: A fast and medium-resolution neutron powder diffraction option for ‘energy research with neutrons’ (ErwiN) at the high-flux FRM II neutron source at the Heinz Maier-Leibnitz Zentrum (MLZ) is described.

Cited by 14 publications

References 21 publications

Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors

Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors

Fatigue in High-Energy Commercial Li Batteries while Cycling at Standard Conditions: An In Situ Neutron Powder Diffraction Study

Understanding Rechargeable Battery Function Using In Operando Neutron Powder Diffraction

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