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Instruments / Technical Area	Publication Details	Published
I20-Scanning-X-ray spectroscopy (XAS/XES)	High-accuracy measurement, advanced theory and analysis of the evolution of satellite transitions in manganese K α using XR-HERFD Daniel Sier , Jonathan W. Dean , Nicholas T. T. Tran , Tony Kirk , Chanh Q. Tran , J. Frederick W. Mosselmans , Sofia Diaz-Moreno , Christopher T. Chantler Iucrj 11 DOI: 10.1107/S2052252524005165 Diamond Proposal Number(s): [28859, 30113] Open Access Show Abstract ▼ Abstract: Here, the novel technique of extended-range high-energy-resolution fluorescence detection (XR-HERFD) has successfully observed the n = 2 satellite in manganese to a high accuracy. The significance of the satellite signature presented is many hundreds of standard errors and well beyond typical discovery levels of three to six standard errors. This satellite is a sensitive indicator for all manganese-containing materials in condensed matter. The uncertainty in the measurements has been defined, which clearly observes multiple peaks and structure indicative of complex physical quantum-mechanical processes. Theoretical calculations of energy eigenvalues, shake-off probability and Auger rates are also presented, which explain the origin of the satellite from physical n = 2 shake-off processes. The evolution in the intensity of this satellite is measured relative to the full Kα spectrum of manganese to investigate satellite structure, and therefore many-body processes, as a function of incident energy. Results demonstrate that the many-body reduction factor S02 should not be modelled with a constant value as is currently done. This work makes a significant contribution to the challenge of understanding many-body processes and interpreting HERFD or resonant inelastic X-ray scattering spectra in a quantitative manner.	Jul 2024
I20-Scanning-X-ray spectroscopy (XAS/XES)	A new satellite of manganese revealed by extended-range high-energy-resolution fluorescence detection Nicholas T. T. Tran , Daniel Sier , Tony Kirk , Chanh Q. Tran , J. Frederick W. Mosselmans , Sofia Diaz-Moreno , Christopher T. Chantler Journal Of Synchrotron Radiation 30 DOI: 10.1107/S1600577523002539 Diamond Proposal Number(s): [25625] Open Access Show Abstract ▼ Abstract: The discovery of a new physical process in manganese metal is reported. This process will also be present for all manganese-containing materials in condensed matter. The process was discovered by applying our new technique of XR-HERFD (extended-range high-energy-resolution fluorescence detection), which was developed from the popular high-resolution RIXS (resonant inelastic X-ray scattering) and HERFD approaches. The acquired data are accurate to many hundreds of standard deviations beyond what is regarded as the criterion for `discovery'. Identification and characterization of many-body processes can shed light on the X-ray absorption fine-structure spectra and inform the scientist on how to interpret them, hence leading to the ability to measure the dynamical nanostructures which are observable using the XR-HERFD method. Although the many-body reduction factor has been used universally in X-ray absorption spectroscopy in analysis over the past 30 years (thousands of papers per year), this experimental result proves that many-body effects are not representable by any constant reduction factor parameter. This paradigm change will provide the foundation for many future studies and X-ray spectroscopy.	May 2023
I20-Scanning-X-ray spectroscopy (XAS/XES)	Redox state and photoreduction control using X-ray spectroelectrochemical techniques – advances in design and fabrication through additive engineering Stephen Peter Best , Victor A. Streltsov , Christopher Thomas Chantler , Wangzhe Li , Philip A. Ash , Shusaku Hayama , Sofia Diaz-Moreno Journal Of Synchrotron Radiation 28 DOI: 10.1107/S1600577520016021 Diamond Proposal Number(s): [20589, 23523] Show Abstract ▼ Abstract: The design and performance of an electrochemical cell and solution flow system optimized for the collection of X-ray absorption spectra from solutions of species sensitive to photodamage is described. A combination of 3D CAD and 3D printing techniques facilitates highly optimized design with low unit cost and short production time. Precise control of the solution flow is critical to both minimizing the volume of solution needed and minimizing the photodamage that occurs during data acquisition. The details of an integrated four-syringe stepper-motor-driven pump and associated software are described. It is shown that combined electrochemical and flow control can allow repeated measurement of a defined volume of solution, 100 µl, of samples sensitive to photoreduction without significant change to the X-ray absorption near-edge structure and is demonstrated by measurements of copper(II) complexes. The flow in situ electrochemical cell allows the collection of high-quality X-ray spectral measurements both in the near-edge region and over an extended energy region as is needed for structural analysis from solution samples. This approach provides control over photodamage at a level at least comparable with that achieved using cryogenic techniques and at the same time eliminates problems associated with interference due to Bragg peaks.	Mar 2021

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