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  1. Article ; Online: Computer-Vision-Based Approach to Classify and Quantify Flaws in Li-Ion Electrodes.

    Daemi, Sohrab R / Tan, Chun / Tranter, Thomas G / Heenan, Thomas M M / Wade, Aaron / Salinas-Farran, Luis / Llewellyn, Alice V / Lu, Xuekun / Matruglio, Alessia / Brett, Daniel J L / Jervis, Rhodri / Shearing, Paul R

    Small methods

    2022  Volume 6, Issue 10, Page(s) e2200887

    Abstract: X-ray computed tomography (X-ray CT) is a non-destructive characterization technique that in recent years has been adopted to study the microstructure of battery electrodes. However, the often manual and laborious data analysis process hinders the ... ...

    Abstract X-ray computed tomography (X-ray CT) is a non-destructive characterization technique that in recent years has been adopted to study the microstructure of battery electrodes. However, the often manual and laborious data analysis process hinders the extraction of useful metrics that can ultimately inform the mechanisms behind cycle life degradation. This work presents a novel approach that combines two convolutional neural networks to first locate and segment each particle in a nano-CT LiNiMnCoO
    MeSH term(s) Image Processing, Computer-Assisted/methods ; Neural Networks, Computer ; Tomography, X-Ray Computed/methods ; Computers ; Electrodes
    Language English
    Publishing date 2022-09-11
    Publishing country Germany
    Document type Journal Article
    ISSN 2366-9608
    ISSN (online) 2366-9608
    DOI 10.1002/smtd.202200887
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: High-speed 4D neutron computed tomography for quantifying water dynamics in polymer electrolyte fuel cells.

    Ziesche, Ralf F / Hack, Jennifer / Rasha, Lara / Maier, Maximilian / Tan, Chun / Heenan, Thomas M M / Markötter, Henning / Kardjilov, Nikolay / Manke, Ingo / Kockelmann, Winfried / Brett, Dan J L / Shearing, Paul R

    Nature communications

    2022  Volume 13, Issue 1, Page(s) 1616

    Abstract: In recent years, low-temperature polymer electrolyte fuel cells have become an increasingly important pillar in a zero-carbon strategy for curbing climate change, with their potential to power multiscale stationary and mobile applications. The ... ...

    Abstract In recent years, low-temperature polymer electrolyte fuel cells have become an increasingly important pillar in a zero-carbon strategy for curbing climate change, with their potential to power multiscale stationary and mobile applications. The performance improvement is a particular focus of research and engineering roadmaps, with water management being one of the major areas of interest for development. Appropriate characterisation tools for mapping the evolution, motion and removal of water are of high importance to tackle shortcomings. This article demonstrates the development of a 4D high-speed neutron imaging technique, which enables a quantitative analysis of the local water evolution. 4D visualisation allows the time-resolved studies of droplet formation in the flow fields and water quantification in various cell parts. Performance parameters for water management are identified that offer a method of cell classification, which will, in turn, support computer modelling and the engineering of next-generation flow field designs.
    Language English
    Publishing date 2022-03-25
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-022-29313-5
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Evolution of Electrochemical Cell Designs for In-Situ and Operando 3D Characterization.

    Tan, Chun / Daemi, Sohrab R / Taiwo, Oluwadamilola O / Heenan, Thomas M M / Brett, Daniel J L / Shearing, Paul R

    Materials (Basel, Switzerland)

    2018  Volume 11, Issue 11

    Abstract: Lithium-based rechargeable batteries such as lithium-ion (Li-ion), lithium-sulfur (Li-S), and lithium-air (Li-air) cells typically consist of heterogenous porous electrodes. In recent years, there has been growing interest in the use of in-situ and ... ...

    Abstract Lithium-based rechargeable batteries such as lithium-ion (Li-ion), lithium-sulfur (Li-S), and lithium-air (Li-air) cells typically consist of heterogenous porous electrodes. In recent years, there has been growing interest in the use of in-situ and operando micro-CT to capture their physical and chemical states in 3D. The development of in-situ electrochemical cells along with recent improvements in radiation sources have expanded the capabilities of micro-CT as a technique for longitudinal studies on operating mechanisms and degradation. In this paper, we present an overview of the capabilities of the current state of technology and demonstrate novel tomography cell designs we have developed to push the envelope of spatial and temporal resolution while maintaining good electrochemical performance. A bespoke PEEK in-situ cell was developed, which enabled imaging at a voxel resolution of ca. 230 nm and permitted the identification of sub-micron features within battery electrodes. To further improve the temporal resolution, future work will explore the use of iterative reconstruction algorithms, which require fewer angular projections for a comparable reconstruction.
    Language English
    Publishing date 2018-11-01
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2487261-1
    ISSN 1996-1944
    ISSN 1996-1944
    DOI 10.3390/ma11112157
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: 3D microstructure design of lithium-ion battery electrodes assisted by X-ray nano-computed tomography and modelling.

    Lu, Xuekun / Bertei, Antonio / Finegan, Donal P / Tan, Chun / Daemi, Sohrab R / Weaving, Julia S / O'Regan, Kieran B / Heenan, Thomas M M / Hinds, Gareth / Kendrick, Emma / Brett, Dan J L / Shearing, Paul R

    Nature communications

    2020  Volume 11, Issue 1, Page(s) 2079

    Abstract: Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. ... ...

    Abstract Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-resolved 3D model using a novel X-ray nano-computed tomography (CT) dual-scan superimposition technique that captures features of the carbon-binder domain. This elucidates how LiB performance is markedly affected by microstructural heterogeneities, particularly under high rate conditions. The elongated shape and wide size distribution of the active particles not only affect the lithium-ion transport but also lead to a heterogeneous current distribution and non-uniform lithiation between particles and along the through-thickness direction. Building on these insights, we propose and compare potential graded-microstructure designs for next-generation battery electrodes. To guide manufacturing of electrode architectures, in-situ X-ray CT is shown to reliably reveal the porosity and tortuosity changes with incremental calendering steps.
    Language English
    Publishing date 2020-04-29
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-020-15811-x
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: 4D imaging of lithium-batteries using correlative neutron and X-ray tomography with a virtual unrolling technique.

    Ziesche, Ralf F / Arlt, Tobias / Finegan, Donal P / Heenan, Thomas M M / Tengattini, Alessandro / Baum, Daniel / Kardjilov, Nikolay / Markötter, Henning / Manke, Ingo / Kockelmann, Winfried / Brett, Dan J L / Shearing, Paul R

    Nature communications

    2020  Volume 11, Issue 1, Page(s) 777

    Abstract: The temporally and spatially resolved tracking of lithium intercalation and electrode degradation processes are crucial for detecting and understanding performance losses during the operation of lithium-batteries. Here, high-throughput X-ray computed ... ...

    Abstract The temporally and spatially resolved tracking of lithium intercalation and electrode degradation processes are crucial for detecting and understanding performance losses during the operation of lithium-batteries. Here, high-throughput X-ray computed tomography has enabled the identification of mechanical degradation processes in a commercial Li/MnO
    Language English
    Publishing date 2020-02-07
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-019-13943-3
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Spatial quantification of dynamic inter and intra particle crystallographic heterogeneities within lithium ion electrodes.

    Finegan, Donal P / Vamvakeros, Antonis / Tan, Chun / Heenan, Thomas M M / Daemi, Sohrab R / Seitzman, Natalie / Di Michiel, Marco / Jacques, Simon / Beale, Andrew M / Brett, Dan J L / Shearing, Paul R / Smith, Kandler

    Nature communications

    2020  Volume 11, Issue 1, Page(s) 631

    Abstract: The performance of lithium ion electrodes is hindered by unfavorable chemical heterogeneities that pre-exist or develop during operation. Time-resolved spatial descriptions are needed to understand the link between such heterogeneities and a cell's ... ...

    Abstract The performance of lithium ion electrodes is hindered by unfavorable chemical heterogeneities that pre-exist or develop during operation. Time-resolved spatial descriptions are needed to understand the link between such heterogeneities and a cell's performance. Here, operando high-resolution X-ray diffraction-computed tomography is used to spatially and temporally quantify crystallographic heterogeneities within and between particles throughout both fresh and degraded Li
    Language English
    Publishing date 2020-01-31
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-020-14467-x
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  7. Article: Resolving Li-Ion Battery Electrode Particles Using Rapid Lab-Based X-Ray Nano-Computed Tomography for High-Throughput Quantification.

    Heenan, Thomas M M / Llewellyn, Alice V / Leach, Andrew S / Kok, Matthew D R / Tan, Chun / Jervis, Rhodri / Brett, Dan J L / Shearing, Paul R

    Advanced science (Weinheim, Baden-Wurttemberg, Germany)

    2020  Volume 7, Issue 12, Page(s) 2000362

    Abstract: Vast quantities of powder leave production lines each day, often with strict control measures. For quality checks to provide the most value, they must be capable of screening individual particles in 3D and at high throughput. Conceptually, X-ray computed ...

    Abstract Vast quantities of powder leave production lines each day, often with strict control measures. For quality checks to provide the most value, they must be capable of screening individual particles in 3D and at high throughput. Conceptually, X-ray computed tomography (CT) is capable of this; however, achieving lab-based reconstructions of individual particles has, until now, relied upon scan-times on the order of tens of hours, or even days, and although synchrotron facilities are potentially capable of faster scanning times, availability is limited, making in-line product analysis impractical. This work describes a preparation method and high-throughput scanning procedure for the 3D characterization of powder samples in minutes using nano-CT by full-filed transmission X-ray microscopy with zone-plate focusing optics. This is demonstrated on various particle morphologies from two next-generation lithium-ion battery cathodes: LiNi
    Language English
    Publishing date 2020-04-30
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2808093-2
    ISSN 2198-3844
    ISSN 2198-3844
    DOI 10.1002/advs.202000362
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Spatially Resolving Lithiation in Silicon-Graphite Composite Electrodes via in Situ High-Energy X-ray Diffraction Computed Tomography.

    Finegan, Donal P / Vamvakeros, Antonis / Cao, Lei / Tan, Chun / Heenan, Thomas M M / Daemi, Sohrab R / Jacques, Simon D M / Beale, Andrew M / Di Michiel, Marco / Smith, Kandler / Brett, Dan J L / Shearing, Paul R / Ban, Chunmei

    Nano letters

    2019  Volume 19, Issue 6, Page(s) 3811–3820

    Abstract: Optimizing the chemical and morphological parameters of lithium-ion (Li-ion) electrodes is extremely challenging, due in part to the absence of techniques to construct spatial and temporal descriptions of chemical and morphological heterogeneities. We ... ...

    Abstract Optimizing the chemical and morphological parameters of lithium-ion (Li-ion) electrodes is extremely challenging, due in part to the absence of techniques to construct spatial and temporal descriptions of chemical and morphological heterogeneities. We present the first demonstration of combined high-speed X-ray diffraction (XRD) and XRD computed tomography (XRD-CT) to probe, in 3D, crystallographic heterogeneities within Li-ion electrodes with a spatial resolution of 1 μm. The local charge-transfer mechanism within and between individual particles was investigated in a silicon(Si)-graphite composite electrode. High-speed XRD revealed charge balancing kinetics between the graphite and Si during the minutes following the transition from operation to open circuit. Subparticle lithiation heterogeneities in both Si and graphite were observed using XRD-CT, where the core and shell structures were segmented, and their respective diffraction patterns were characterized.
    MeSH term(s) Electrodes ; Graphite/chemistry ; Lithium/chemistry ; Silicon/chemistry ; Tomography, X-Ray Computed ; X-Ray Diffraction
    Chemical Substances Graphite (7782-42-5) ; Lithium (9FN79X2M3F) ; Silicon (Z4152N8IUI)
    Language English
    Publishing date 2019-05-24
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
    ISSN 1530-6992
    ISSN (online) 1530-6992
    DOI 10.1021/acs.nanolett.9b00955
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Exploring cycling induced crystallographic change in NMC with X-ray diffraction computed tomography.

    Daemi, Sohrab R / Tan, Chun / Vamvakeros, Antonis / Heenan, Thomas M M / Finegan, Donal P / Di Michiel, Marco / Beale, Andrew M / Cookson, James / Petrucco, Enrico / Weaving, Julia S / Jacques, Simon / Jervis, Rhodri / Brett, Dan J L / Shearing, Paul R

    Physical chemistry chemical physics : PCCP

    2020  Volume 22, Issue 32, Page(s) 17814–17823

    Abstract: This study presents the application of X-ray diffraction computed tomography for the first time to analyze the crystal dimensions of LiNi0.33Mn0.33Co0.33O2 electrodes cycled to 4.2 and 4.7 V in full cells with graphite as negative electrodes at 1 μm ... ...

    Abstract This study presents the application of X-ray diffraction computed tomography for the first time to analyze the crystal dimensions of LiNi0.33Mn0.33Co0.33O2 electrodes cycled to 4.2 and 4.7 V in full cells with graphite as negative electrodes at 1 μm spatial resolution to determine the change in unit cell dimensions as a result of electrochemical cycling. The nature of the technique permits the spatial localization of the diffraction information in 3D and mapping of heterogeneities from the electrode to the particle level. An overall decrease of 0.4% and 0.6% was observed for the unit cell volume after 100 cycles for the electrodes cycled to 4.2 and 4.7 V. Additionally, focused ion beam-scanning electron microscope cross-sections indicate extensive particle cracking as a function of upper cut-off voltage, further confirming that severe cycling stresses exacerbate degradation. Finally, the technique facilitates the detection of parts of the electrode that have inhomogeneous lattice parameters that deviate from the bulk of the sample, further highlighting the effectiveness of the technique as a diagnostic tool, bridging the gap between crystal structure and electrochemical performance.
    Language English
    Publishing date 2020-06-24
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d0cp01851a
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  10. Article ; Online: Operando

    Estandarte, Ana Katrina C / Diao, Jiecheng / Llewellyn, Alice V / Jnawali, Anmol / Heenan, Thomas M M / Daemi, Sohrab R / Bailey, Josh J / Cipiccia, Silvia / Batey, Darren / Shi, Xiaowen / Rau, Christoph / Brett, Dan J L / Jervis, Rhodri / Robinson, Ian K / Shearing, Paul R

    ACS nano

    2020  Volume 15, Issue 1, Page(s) 1321–1330

    Abstract: Due to complex degradation mechanisms, disparities between the theoretical and practical capacities of lithium-ion battery cathode materials persist. Specifically, Ni-rich chemistries such as ... ...

    Abstract Due to complex degradation mechanisms, disparities between the theoretical and practical capacities of lithium-ion battery cathode materials persist. Specifically, Ni-rich chemistries such as LiNi
    Language English
    Publishing date 2020-12-23
    Publishing country United States
    Document type Journal Article
    ISSN 1936-086X
    ISSN (online) 1936-086X
    DOI 10.1021/acsnano.0c08575
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