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Extended X-ray absorption fine structure
About: Extended X-ray absorption fine structure is a research topic. Over the lifetime, 10452 publications have been published within this topic receiving 276744 citations.
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TL;DR: In this article, the structural evolution from structural disorder to order was monitored by X-ray diffraction and near-edge spectroscopy using high-level quantum mechanical calculations within the density functional theory framework.
134 citations
TL;DR: The structural environments of trace levels (2000 ppm) of Zr4+ in several silicate glasses were examined as a function of melt composition and polymerization using Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy as mentioned in this paper.
134 citations
TL;DR: In this paper, the authors examined the coprecipitation of chromate with calcite, including partitioning behavior, site-specific distribution of Cr on the surface of calcite single crystals, and local coordination of Cr(VI) in the calcite structure.
133 citations
TL;DR: In this paper, a Fourier transform peak due to scatterers at an average distance of > 3 [angstrom is detected in both spinach and cyanobacterium Synechococcus sp.
Abstract: The evaluation of Mn X-ray absorption fine structure (EXAFS) studies on the oxygen-evolving complex (OEC) from photosystem II is described for preparations from both spinach and the cyanobacterium Synechococcus sp. poised in the S[sub 1] and S[sub 2] states. In addition to reproducing previous results suggesting the presence of bis([mu]-oxo)-bridged Mn centers in the OEC, a Fourier transform peak due to scatterers at an average distance of > 3 [angstrom] is detected in both types of preparation. In addition, subtle but reproducible changes are found in the relative amplitudes of the Fourier transform peaks due to mainly O ([approximately]1.8 [angstrom]) and Mn ([approximately] 2.7 [angstrom]) neighbors upon cryogenic advance from the S[sub 1] to the S[sub 2] state. Analysis of the peak due to scatterers at [approximately] 3 [angstrom] favors assignment to (per 4 Mn in the OEC) 1-2 heavy atom (Mn, Ca) scatterers at an average distance of 3.3-3.4 [angstrom]. The EXAFS data of several multinuclear Mn model compounds containing such scattering interactions are analyzed and compared with the data for the OEC. Structural models for the OEC are evaluated on the basis of these results. 40 refs., 9 figs., 5 tabs.
133 citations
TL;DR: In this article, the role of the Cu clusters as catalyzing nucleation of the DO3 crystallites by providing a low energy interface upon which the activation energy for DO3 phase is lowered.
132 citations