Johannes Cochlaeus:

Bridging Structural Inhomogeneity to Functionality: Pair Distribution Function Methods for Functional Materials Development

“…The origin of the PDF method can be traced back in 1915 when the Debye scattering equation was first proposed, [21] but for a long time this method has not been widely used until the recent 20 years when the techniques of synchrotron X-rays and intensely pulsed neutrons were rapidly developed. [22] These highenergy and high-flux beams allow for a greater reciprocal area to be detected (typically Q max > 25-30 Å −1 , discussed later), enabling a high spatial resolution of ≈0.01 Å that covers most concerns of structural complexities. As a result, the PDF technique, as a highly complementary detector to conventional bulk probes, could surely act as a powerful booster to the functional materials community.…”

Local structure and lithium-ion diffusion pathway of cubic Li7La3Zr2O12 studied by total scattering and the Reverse Monte Carlo method

“…Having introduced the experimental methods, here we discuss briey the formalism used in the data analysis. 24,26,34,35 The differential cross section for the scattering of a beam of radiation as integrated over all changes of energy is dened as:…”

Investigating the chemical sensitivity of melting in zeolitic imidazolate frameworks

“…10 This results in the observation of only diffuse scattering by X-ray diffraction. 11,12 The most common methods to prepare amorphous MOFs from crystalline frameworks are: by the application of pressure, 13,14 via mechanical-milling, 15,16 and, by melt-quenching. 17,18 This final method results in the formation of melt-quenched MOF glasses (a g MOFs).…”