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STOE USER TALK: DISORDER IN AMALGAMS – SYNCHROTRON AND LABORATORY POWDER X-RAY DIFFRACTION

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Synchrotron radiation is always better, right? In this webinar, several
examples of powder diffraction patterns both from lab equipment and from
synchrotron experiments will demonstrate that lab data can be as
accurate as synchrotron data. For some high-absorption amalgam samples,
results of Rietveld refinements are compared and show that the big
advantage of synchrotron data only lies in the much shorter acquisition
times.

47 min.

STOE USER TALK: ORIGINAL STADIVARI SETUP FOR MULTI-STIMULI AND TIME-RESOLVED CRYSTALLOGRAPHY

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Crystallography of functional materials aims for explaining the observed functional properties based on the underlying structural features, ideally in in-operando or in-situ conditions. We present a laboratory single-crystal X-ray diffraction (XRD) setup designed for the measurement of static and time-resolved XRD patterns as a function of temperature, light irradiation, pressure, and electric field. …

47 min.

STOE USER TALK: TAKE A CLOSER LOOK: IN SITU XRD-MS EXPERIMENTS IN THE HOME LABORATORY

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Solid-state reactions often resemble “black boxes” due to their complex parameter spaces, typically
requiring extensive and time-consuming trial-and-error experimentation. Even when a pure product is
obtained, information about the reaction pathway is frequently lacking, hindering the discovery of
intermediate phases or alternative compositions and morphologies. Time- and temperature-resolved
in situ X-ray diffraction (XRD) has proven to be a powerful tool for elucidating reaction mechanisms by
enabling the direct observation of intermediates and allowing for improved control over solid-state
syntheses. …

52 min.

STOE USER TALK: pTB IN NOSPHERA2 – ENABLING NON-SPHERICAL REFINEMENTS WITHIN SECONDS BY BEN EBEL, RWTH AACHEN

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Today, the continuous improvement of diffractometers and data reduction software routinely allows the collection of high-quality data sets, leading to crystallographic models which are often limited by the neglection of chemical features (e.g. residual desity on chemical bonds) through the use of non-interacting, spherically averaged atomic form factors, also referred to as the Independent Atom Model (IAM). With the increase in computing power, more accurate non-spherical form factors can be calculated for example using a quantum mechanical software and the Hirshfeld partitioning scheme …

37 min.

STOE USER TALK: TEMPERATURE, LIGHT AND X-RAYS: SOLID-STATE (OPTO-)IONICS IN HYBRID PEROVSKITES

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In recent years mixed halide perovskites MAPbI3-xBrx have become an aspirant for the application in tandem solar cells due to the tunability of their bandgap.[1] However, halide migration in the perovskite particles and across particle interfaces under working conditions, i.e., illumination and elevated temperatures, results in heterogeneous compositions and thus in a deterioration of optoelectronic performance.[2] Tuning the morphology of perovskite particles, as well as the use of “passivation” additives is believed to control ion migration and thus increase the stability of mixed halide compositions, but exact mechanisms are still unclear.
We use in-situ X-ray diffraction in combination with solid-state NMR ….

39 Min.