Simon D. M. Jacques
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View article: Battery Imaging Library: Multi-length scale and multi-modal synchrotron and laboratory battery imaging data for all
Battery Imaging Library: Multi-length scale and multi-modal synchrotron and laboratory battery imaging data for all Open
Battery research increasingly relies on advanced imaging, yet open access to such data remains rare, scattered across various sources, and difficult to find. The Battery Imaging Library (BIL) is the first open, curated collection of multi-…
View article: Rationalizing Deactivation Behavior in Pyrochlore‐Type CeO <sub>2</sub> ‐ZrO <sub>2</sub> Oxygen Storage Catalysts Using Multimodal Nano X‐Ray Fluorescence Computed Tomography, X‐Ray Diffraction Computed Tomography, and Scanning Three‐Dimensional X‐ray Diffraction
Rationalizing Deactivation Behavior in Pyrochlore‐Type CeO <sub>2</sub> ‐ZrO <sub>2</sub> Oxygen Storage Catalysts Using Multimodal Nano X‐Ray Fluorescence Computed Tomography, X‐Ray Diffraction Computed Tomography, and Scanning Three‐Dimensional X‐ray Diffraction Open
The authors report a combination of multimodal scanning three‐dimensional X‐ray diffraction (S3DXRD), X‐ray diffraction computed tomography (XRD‐CT), and X‐ray fluorescence computed tomography (XRF‐CT) used for the first time to provide mu…
View article: nDTomo: A Python-Based Software Suite for X-ray Chemical Imaging and Tomography
nDTomo: A Python-Based Software Suite for X-ray Chemical Imaging and Tomography Open
nDTomo is a Python-based software suite for the simulation, reconstruction and analysis of X-ray chemical imaging and computed tomography data. It provides a collection of Python function-based tools designed for accessibility and educatio…
View article: Spatially Resolved Operando X-ray Diffraction for Mapping Heterogeneities in Li-ion Single-Layer Pouch Cells
Spatially Resolved Operando X-ray Diffraction for Mapping Heterogeneities in Li-ion Single-Layer Pouch Cells Open
The electrochemical degradation of Li-ion batteries occurs at different spatial and temporal scales. This work demonstrates how operando synchrotron X-ray diffraction can be used to study degradation in Li-ion battery materials by mapping …
View article: nDTomo: A Python-Based Software Suite for X-ray Chemical Imaging and Tomography
nDTomo: A Python-Based Software Suite for X-ray Chemical Imaging and Tomography Open
nDTomo is a Python-based software suite for the simulation, reconstruction and analysis of X-ray chemical imaging and computed tomography data. It provides a collection of Python function-based tools designed for accessibility and educatio…
View article: BeamStop: A software for analysing chemical imaging and tomography data
BeamStop: A software for analysing chemical imaging and tomography data Open
Chemical imaging datasets, particularly those from techniques like X-ray powder diffraction (XRPD) imaging and tomography (XRD-CT), are challenging to analyse due to their high dimensionality, complexity, and spatial heterogeneity. BeamSto…
View article: Enhanced cycling stability of LiNiO <sub>2</sub> cathodes through a Mg/W dual-cation modification strategy
Enhanced cycling stability of LiNiO <sub>2</sub> cathodes through a Mg/W dual-cation modification strategy Open
The effect of dual cation magnesium/tungsten substitution in ultra-Ni-rich LiNiO 2 cathodes was investigated. Combined bulk and surface stabilisation afforded through this coat-doping method improved the cyclability of these cathode materi…
View article: Spatially Resolved Operando X-ray Diffraction for Mapping Heterogeneities in Li-ion Single-Layer Pouch Cells
Spatially Resolved Operando X-ray Diffraction for Mapping Heterogeneities in Li-ion Single-Layer Pouch Cells Open
The electrochemical degradation of Li-ion batteries occurs over different spatial and temporal scales. This work demonstrates how operando synchrotron X-ray diffraction can be used to study degradation in Li-ion battery...
View article: <i>nDTomo</i> : a modular Python toolkit for X-ray chemical imaging and tomography
<i>nDTomo</i> : a modular Python toolkit for X-ray chemical imaging and tomography Open
nDTomo is a Python-based software suite for the simulation, reconstruction and analysis of X-ray chemical imaging and computed tomography data.
View article: Obtaining parallax-free X-ray powder diffraction computed tomography data with a self-supervised neural network
Obtaining parallax-free X-ray powder diffraction computed tomography data with a self-supervised neural network Open
In this study, we introduce a method designed to eliminate parallax artefacts present in X-ray powder diffraction computed tomography data acquired from large samples. These parallax artefacts manifest as artificial peak shifting, broadeni…
View article: A neural network reconstruction approach for obtaining parallax-free X-ray powder diffraction computed tomography data from large samples
A neural network reconstruction approach for obtaining parallax-free X-ray powder diffraction computed tomography data from large samples Open
In this study, we introduce a method designed to eliminate parallax artefacts present in X-ray powder diffraction computed tomography data acquired from large samples. These parallax artefacts manifest as artificial peak shifting, broadeni…
View article: A neural network reconstruction approach for obtaining parallax-free X-ray powder diffraction computed tomography data from large samples
A neural network reconstruction approach for obtaining parallax-free X-ray powder diffraction computed tomography data from large samples Open
In this study, we introduce an innovative method designed to eliminate parallax artefacts present in X-ray powder diffraction computed tomography data acquired from large samples. Our approach integrates a unique 3D neural network architec…
View article: Parallax xrd-ct datasets
Parallax xrd-ct datasets Open
Simulated and experimental xrd-ct sinogram data containing parallax artefacts (0-180 deg scans).
View article: Parallax xrd-ct datasets
Parallax xrd-ct datasets Open
Simulated and experimental xrd-ct sinogram data containing parallax artefacts (0-180 deg scans).
View article: Recent developments in X-ray diffraction/scattering computed tomography for materials science
Recent developments in X-ray diffraction/scattering computed tomography for materials science Open
X-ray diffraction/scattering computed tomography (XDS-CT) methods are a non-destructive class of chemical imaging techniques that have the capacity to provide reconstructions of sample cross-sections with spatially resolved chemical inform…
View article: A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres
A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres Open
This study demonstrates the characteristics of two model packing configurations: 3D printed (3DP) catalyst monoliths on the one hand, and their conventional counterparts, packed beds of spheres, on the other. Cobalt deposited on alumina is…
View article: Architecture of industrial Bi-Mo-Co-Fe-K-O propene oxidation catalysts
Architecture of industrial Bi-Mo-Co-Fe-K-O propene oxidation catalysts Open
Industrial heterogeneous catalysts show high performance coupled with high material complexity. Deconvoluting this complexity into simplified models eases mechanistic studies. However, this approach dilutes the relevance because models are…
View article: A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres
A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres Open
XRD-CT data presented in the manuscript: "A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres" by Clement Jacquot et al. The h5 files contained the integrated and reshaped diffraction datas as well as a native 2the…
View article: A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres
A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres Open
XRD-CT data presented in the manuscript: "A multi-scale study of 3D printed Co-Al2O3 catalyst monoliths versus spheres" by Clement Jacquot et al. The h5 files contained the integrated and reshaped diffraction datas as well as a native 2the…
View article: A flexible, scalable generative network for self-supervised tomographic image reconstruction
A flexible, scalable generative network for self-supervised tomographic image reconstruction Open
We present a lightweight and scalable artificial neural network architecture which is used to reconstruct a tomographic image from a given sinogram. A self-supervised learning approach is used where the network iteratively generates an ima…
View article: 3D printed SrNbO<sub>2</sub>N photocatalyst for degradation of organic pollutants in water
3D printed SrNbO<sub>2</sub>N photocatalyst for degradation of organic pollutants in water Open
3D printed SrNbO 2 N photocatalyst, its reconstructed XRD-CT image, band structure and photo-oxidation process.
View article: A scalable neural network architecture for self-supervised tomographic image reconstruction
A scalable neural network architecture for self-supervised tomographic image reconstruction Open
We present a lightweight and scalable artificial neural network architecture which is used to reconstruct a tomographic image from a given sinogram.
View article: Following Cu Microstructure Evolution in CuZnO/Al<sub>2</sub>O<sub>3</sub>(−Cs) Catalysts During Activation in H<sub>2</sub> using in situ XRD and XRD‐CT
Following Cu Microstructure Evolution in CuZnO/Al<sub>2</sub>O<sub>3</sub>(−Cs) Catalysts During Activation in H<sub>2</sub> using in situ XRD and XRD‐CT Open
Invited for this month's cover is the group of Andrew M. Beale at the University College London and at the Research Complex at Harwell (UK). The cover picture demonstrates how X‐rays can be used to obtain spatially resolved chemical imagin…
View article: Cover Picture: Following Cu Microstructure Evolution in CuZnO/Al<sub>2</sub>O<sub>3</sub>(−Cs) Catalysts During Activation in H<sub>2</sub> using in situ XRD and XRD‐CT (Chem. Methods 1/2023)
Cover Picture: Following Cu Microstructure Evolution in CuZnO/Al<sub>2</sub>O<sub>3</sub>(−Cs) Catalysts During Activation in H<sub>2</sub> using in situ XRD and XRD‐CT (Chem. Methods 1/2023) Open
The Front Cover shows how X-rays can be used to obtain spatially resolved chemical imaging insight from within an industrial catalytic reactor. Understanding how the microstructure of the active Cu0 component in the commercially applicable…
View article: A flexible, scalable generative network for self-supervised tomographic image reconstruction
A flexible, scalable generative network for self-supervised tomographic image reconstruction Open
We present a lightweight and scalable artificial neural network architecture which is used to reconstruct a tomographic image from a given sinogram. A self-supervised learning approach is used which overcomes the problem related to having …
View article: Following Cu Microstructure Evolution in CuZnO/Al<sub>2</sub>O<sub>3</sub>(−Cs) Catalysts During Activation in H<sub>2</sub> using in situ XRD and XRD‐CT
Following Cu Microstructure Evolution in CuZnO/Al<sub>2</sub>O<sub>3</sub>(−Cs) Catalysts During Activation in H<sub>2</sub> using in situ XRD and XRD‐CT Open
Understanding how the microstructure of the active Cu 0 component in the commercially applicable Cu/ZnO/Al 2 O 3 (−Cs 2 O) low‐temperature water‐gas shift catalyst evolves under various H 2 partial pressures in the presence/absence of a Cs…
View article: Orbit closures in flag varieties for the centralizer of an order-two nilpotent element : normality and resolutions for types A, B, D
Orbit closures in flag varieties for the centralizer of an order-two nilpotent element : normality and resolutions for types A, B, D Open
Let G be a reductive algebraic group in classical types A, B, D and e be an element of its Lie algebra with Z its centraliser in G for the adjoint action. We suppose that e identifies with an nilpotent matrix of order two, which guarantees…
View article: Emerging chemical heterogeneities in a commercial 18650 NCA Li-ion battery during early cycling revealed by synchrotron X-ray diffraction tomography: Datasets
Emerging chemical heterogeneities in a commercial 18650 NCA Li-ion battery during early cycling revealed by synchrotron X-ray diffraction tomography: Datasets Open
Integrated interlaced XRD-CT dataset