Zachary Arthur

Multiple Scattering Debye-Waller Factors for Arsenate

Debye-Waller factors for the As-O-O triangular multiple scattering paths within the arsenate in Na2HAsO4·7H2O are evaluated in terms of magnitude ratio with respect to the Debye-Waller factor of the nearest neighbour As-O shell (σ2As−0−0/σ2As-0). The arsenates are studied under two different levels of distortion from an ideal tetrahedron, i.e. a relatively high distortion in the powder form and a nearly ideal tetrahedron in an aqueous solution at pH 14. The Debye-Waller factor ratio σ2As−0−0/σ2As-0) is found to be 2.0 and 1.9 for the powder and liquid sample, respectively, appearing to be insensitive to the distortion of the arsenate tetrahedron.

XAFS Study of Arsenical Nickel Hydroxide

To Investigate the role played by nickel co-ions in contributing to the stability of arsenic, fluorescence XAFS measurements at both arsenic K-edge and nickel K-edge, respectively, on amorphous arsenical nickel hydroxide, crystalline arsenical nickel hydroxide, and annabergite reference compounds have been carried out. The XAFS results indicate that the arsenic-bearing nickel hydroxides have a well-defined arsenic local structure with multiple coordination shells, suggesting a compound formation mechanism instead of surface adsorption. The degradation of the arsenic local structure in the crystalline arsenical nickel hydroxide is observed. The XAFS of annabergites are compared to that of the arsenical nickel hydroxide and possible structural models are discussed.

In situ XANES & XRD Study of interphasial reaction between uncharged Li2FeSiO4 cathode and LiPF6-based electrolyte

In situ synchrotron radiation XANES and XRD have been carried out on Li2FeSiO4 cathode material in a lithium-ion-battery (LIB) cell. The evolution of the long range lattice structure and the local iron oxidation state has been observed at a charging rate of C/20 for the formation cycle for one Lithium extraction; additional ex situ measurements of the pristine cathode material were taken for comparison. The observed spontaneous interaction between the cathode and the fluorinated electrolyte and the impact of subsequent cycling are discussed.