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Redox Properties of Hexagonal and Cubic Sr 0.4 Ba 0.6 Mn 0.94 Ti 0.06 O 3−δ Investigated by In Situ Neutron Powder Diffraction
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Polymorphs of Rb[subscript 3]ScF[subscript 6]: X-ray and Neutron Diffraction, Solid-State NMR, and D
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High-Pressure and High-Temperature Synthesis and In Situ High-Pressure Synchrotron X-ray Diffraction
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Small Pore Aluminosilicate EMM-37: Synthesis and Structure Determination Using Continuous Rotation Electron Diffraction
Abstract not provided
Understanding Powder X-ray Diffraction Profiles from Layered Minerals: The Case of Kaolinite Nanocrystals
Abstract not provided
Structure of the Bastnäsite (001) Surface by Crystal Truncation Rod X-ray Diffraction and Ab Initio Molecular Dynamics: Implications for Separations of a Rare Earth Ore Mineral
Bastnäsite ((Ce,La)FCO 3 ) is the primary mineral source of light rare earth elements, but its surface structure is not well understood. This presents a major challenge in improving beneficiation strategies. In this work, a synergistic combination of X-ray scattering and ab initio molecular dynamics (AIMD) was used to gain atomistic insight into the interfacial structure of bastnäsite. Surface X-ray scattering was used to measure crystal truncation rods (CTRs) of the bastnäsite (001) surface, a significant crystal face with a previously unknown termination. The best-fit atomic-scale model of the CTR data features a carbonate layer at the surface, which is stabilized by the relaxation of carbonate groups from their bulk structural positions. AIMD simulations predict similar surface relaxations, which are shown to be influenced by the protonation of oxygen atoms at the surface. Evidence of ordered water at the interface is also observed in the best-fit model and AIMD simulations. Further, the presence of a carbonate layer at this dominant crystal surface is significant for improving separation technologies because most commonly used ligands utilize anionic functional groups to chelate metal cations at particle surfaces. Without modification, anionic ligands are expected to have poor affinity for the carbonate-terminated (001) surface.
Nanosecond-Lived Excimer Observation in a Crystal of a Rhodium(I) Complex via Time-Resolved X-ray Laue Diffraction
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Probing Dopant Locations in Silicon Nanocrystals via High Energy X-ray Diffraction and Reverse Monte Carlo Simulation
Abstract not provided
On the Cobalt Carbide Formation in a Co/TiO 2 Fischer–Tropsch Synthesis Catalyst as Studied by High-Pressure, Long-Term Operando X-ray Absorption and Diffraction
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