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X-ray Absorption Fine Structure Spectroscopy (x-ray + absorption_fine_structure_spectroscopy)
Selected AbstractsFacile Fabrication and Superparamagnetism of Silica-Shielded Magnetite Nanoparticles on Carbon Nitride NanotubesADVANCED FUNCTIONAL MATERIALS, Issue 14 2009Jung Woo Lee Abstract Using conventional methods to synthesize magnetic nanoparticles (NPs) with uniform size is a challenging task. Moreover, the degradation of magnetic NPs is an obstacle to practical applications. The fabrication of silica-shielded magnetite NPs on carbon nitride nanotubes (CNNTs) provides a possible route to overcome these problems. While the nitrogen atoms of CNNTs provide selective nucleation sites for NPs of a particular size, the silica layer protects the NPs from oxidation. The morphology and crystal structure of NP,CNNT hybrid material is investigated by transmission electron microscopy (TEM) and X-ray diffraction. In addition, the atomic nature of the N atoms in the NP,CNNT system is studied by near-edge X-ray absorption fine structure spectroscopy (nitrogen K-edge) and calculations of the partial density of states based on first principles. The structure of the silica-shielded NP,CNNT system is analyzed by TEM and energy dispersive X-ray spectroscopy mapping, and their magnetism is measured by vibrating sample and superconducting quantum interference device magnetometers. The silica shielding helps maintain the superparamagnetism of the NPs; without the silica layer, the magnetic properties of NP,CNNT materials significantly degrade over time. [source] Catalyst-Free Efficient Growth, Orientation and Biosensing Properties of Multilayer Graphene Nanoflake Films with Sharp Edge Planes,ADVANCED FUNCTIONAL MATERIALS, Issue 21 2008Nai Gui Shang Abstract We report a novel microwave plasma enhanced chemical vapor deposition strategy for the efficient synthesis of multilayer graphene nanoflake films (MGNFs) on Si substrates. The constituent graphene nanoflakes have a highly graphitized knife-edge structure with a 2,3,nm thick sharp edge and show a preferred vertical orientation with respect to the Si substrate as established by near-edge X-ray absorption fine structure spectroscopy. The growth rate is approximately 1.6,µm min,1, which is 10 times faster than the previously reported best value. The MGNFs are shown to demonstrate fast electron-transfer (ET) kinetics for the Fe(CN)63,/4, redox system and excellent electrocatalytic activity for simultaneously determining dopamine (DA), ascorbic acid (AA) and uric acid (UA). Their biosensing DA performance in the presence of common interfering agents AA and UA is superior to other bare solid-state electrodes and is comparable only to that of edge plane pyrolytic graphite. Our work here, establishes that the abundance of graphitic edge planes/defects are essentially responsible for the fast ET kinetics, active electrocatalytic and biosensing properties. This novel edge-plane-based electrochemical platform with the high surface area and electrocatalytic activity offers great promise for creating a revolutionary new class of nanostructured electrodes for biosensing, biofuel cells and energy-conversion applications. [source] Tl(I)-the strongest structure-breaking metal ion in water?JOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 6 2007A quantum mechanical/molecular mechanical simulation study Abstract Structural and dynamical properties of the Tl(I) ion in dilute aqueous solution have been investigated by ab initio quantum mechanics in combination with molecular mechanics. The first shell plus a part of the second shell were treated by quantum mechanics at Hartree-Fock level, the rest of the system was described by an ab initio constructed potential. The radial distribution functions indicate two different bond lengths (2.79 and 3.16 Å) in the first hydration shell, in good agreement with large-angle X-ray scattering and extended X-ray absorption fine structure spectroscopy results. The average first shell coordination number was found as 5.9, and several other structural parameters such as coordination number distributions, angular distribution functions, and tilt- and ,-angle distributions were evaluated. The ion,ligand vibration spectrum and reorientational times were obtained via velocity auto correlation functions. The TlO stretching force constant is very weak with 5.0 N m,1. During the simulation, numerous water exchange processes took place between first and second hydration shell and between second shell and bulk. The mean ligand residence times for the first and second shell were determined as 1.3 and 1.5 ps, respectively, indicating Tl(I) to be a typical "structure-breaker". The calculated hydration energy of ,84 ± 16 kcal mol,1 agrees well with the experimental value of ,81 kcal mol,1. All data obtained for structure and dynamics of hydrated Tl(I) characterize this ion as a very special case among all monovalent metal ions, being the most potent "structure-breaker", but at the same time forming a distinct second hydration shell and thus having a far-reaching influence on the solvent structure. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007 [source] Ni clay neoformation on montmorillonite surfaceJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Rainer Dähn Polarized extended X-ray absorption fine structure spectroscopy (P-EXAFS) was used to study the sorption mechanism of Ni on the aluminous hydrous silicate montmorillonite at high ionic strength (0.3 M NaClO4), pH 8 and a Ni concentration of 0.66 mM. Highly textured self-supporting clay films were obtained by slowly filtrating a clay suspension after a reaction time of 14 days. P-EXAFS results indicate that sorbed Ni has a Ni clay-like structural environment with the same crystallographic orientation as montmorillonite layers. [source] Crystal structure of E. coli ,,carbonic anhydrase, an enzyme with an unusual pH,dependent activityPROTEIN SCIENCE, Issue 5 2001Jeff D. Cronk CA, carbonic anhydrase; ECCA, Escherichia coli ,-carbonic anhydrase; PPCA, Porphyridium purpureum ,-carbonic anhydrase; PSCA, Pisum sativum ,-carbonic anhydrase; EXAFS, extended X-ray absorption fine structure spectroscopy; MAD, multiwavelength anomalous dispersion Abstract Carbonic anhydrases fall into three distinct evolutionary and structural classes: ,, ,, and ,. The ,-class carbonic anhydrases (,-CAs) are widely distributed among higher plants, simple eukaryotes, eubacteria, and archaea. We have determined the crystal structure of ECCA, a ,-CA from Escherichia coli, to a resolution of 2.0 Å. In agreement with the structure of the ,-CA from the chloroplast of the red alga Porphyridium purpureum, the active-site zinc in ECCA is tetrahedrally coordinated by the side chains of four conserved residues. These results confirm the observation of a unique pattern of zinc ligation in at least some ,-CAs. The absence of a water molecule in the inner coordination sphere is inconsistent with known mechanisms of CA activity. ECCA activity is highly pH-dependent in the physiological range, and its expression in yeast complements an oxygen-sensitive phenotype displayed by a ,-CA-deletion strain. The structural and biochemical characterizations of ECCA presented here and the comparisons with other ,-CA structures suggest that ECCA can adopt two distinct conformations displaying widely divergent catalytic rates. [source] | ||||||||||