A room temperature solid-state structural transformation was observed in 3 nm ZnS nanoparticles in methanol following the addition of water (Zhang et al., Nature 424, 1025, 2003). Experimental wide angle x-ray scattering (WAXS), x-ray absorption near edge structure (XANES) and extended x-ray absorption fine structure (EXAFS) spectroscopy measurements show a large increase in crystallinity assoc...

Microsecond (μs) time-resolved extended X-ray absorption fine structure spectroscopy (EXAFS) has been developed using an energy-dispersive EXAFS (EDE) setup equipped with a silicon Quantum Detector ULTRA. The feasibility was investigated with a prototypical thermally driven redox reaction, the thermal decomposition of (NH₄)₂[PtCl₆]. EXAFS data were collected with snapshots every 60 μs during th...

Muffin-tin potentials are the standard tool for calculating the potential surface of a cluster of atoms for use in the analysis of extended X-ray absorption fine-structure (EXAFS) data. The set of Cartesian coordinates used to define the positions of atoms in the cluster and to calculate the muffin-tin potentials is commonly also used to enumerate the scattering paths used in the EXAFS data ana...

Extended x-ray absorption fine structure (EXAFS) experiments have been carried out on PrRu(4)P(12) and PrOs(4)P(12) to study the metal-to-insulator (MI) phase transition in PrRu(4)P(12). No Pr displacement was observed across the MI transition temperature from the EXAFS data. Instead, our EXAFS data clearly show that a Ru displacement is associated with this MI transition. The very high Debye t...

Local-structure scattering refinements using a simultaneous fit of x-ray/neutron total scattering, EXAFS, and diffuse scattering in electron diffraction are implemented as an extension to the RMCProfile software Version 6. Users should refer to the main RMCProfile manual for this version for details regarding RMC refinements using total scattering data alone. A user is expected to have a reason...

Local structure of the Cu02 plane in Bi2Sr2CaCu208+8 (Bi2212) superconductor has been solved by joint Cu K-edge extended X-ray absorption fine structure (EXAFS) and anomalous X-ray diffraction. The Cu-0 pair distribution function (PDF) has been measured by EXAFS and diffraction. The displacement of the Cu ions along the c-axis shows largest amplitude and anharmonic character. The results show f...

Original information on local thermal expansion can be obtained through a cumulant analysis of EXAFS. The different sensitivity to correlation of the first and third EXAFS cumulants, and their comparison with crystallographic distance, can help in disentangling the contribution of potential anharmonicity to thermal expansion from geometrical effects. These possibilities are illustrated by recen...

Most of the main features of water oxidation in photosystem II are now quite well understood, including the mechanism for O-O bond formation. For the intermediate S2 and S3 structures there is also nearly complete agreement between theory and experiments. Given the present high degree of consensus between theory and spectroscopic experiments for these structures, it is of high interest to go ba...

Extended x-ray absorption fine structure EXAFS data and magnetic EXAFS MEXAFS data were measured at two temperatures 180 and 296 K in the energy region of the overlapping L-edges of bcc Fe grown on a V 110 crystal surface. In combination with a Bayes-Turchin data analysis procedure these measurements enable the exploration of local crystallographic and magnetic structures. The analysis determin...