Can the d-Orbital Splitting Unveil the Local Structure of Cu $$^{2+}$$ Ions? Study on the K $$_2$$ ZnF $$_4$$ :Cu $$^{2+}$$ Archetype

2017 ◽  
pp. 3-15
Author(s):  
Fernando Rodríguez
Keyword(s):  
Local Structure

X-ray microprobe for materials science

1994 ◽  
Vol 52 ◽  
pp. 56-57
Author(s):  
G.E. Ice
Keyword(s):  
Crystallographic Orientation ◽  
Local Structure ◽  
Materials Science ◽  
Chemical Information ◽  
X Ray Diffraction ◽  
Ray Optics ◽  
X Ray ◽  
Novel Materials ◽  
New Information ◽  
Elemental Sensitivity

The increasing availability of synchrotron x-ray sources has stimulated the development of advanced hard x-ray (E≥5 keV) microprobes. With new x-ray optics these microprobes can achieve micron and submicron spatial resolutions. The inherent elemental and crystallographic sensitivity of an x-ray microprobe and its inherently nondestructive and penetrating nature will have important applications to materials science. For example, x-ray fluorescent microanalysis of materials can reveal elemental distributions with greater sensitivity than alternative nondestructive probes. In materials, segregation and nonuniform distributions are the rule rather than the exception. Common interfaces to whichsegregation occurs are surfaces, grain and precipitate boundaries, dislocations, and surfaces formed by defects such as vacancy and interstitial configurations. In addition to chemical information, an x-ray diffraction microprobe can reveal the local structure of a material by detecting its phase, crystallographic orientation and strain.Demonstration experiments have already exploited the penetrating nature of an x-ray microprobe and its inherent elemental sensitivity to provide new information about elemental distributions in novel materials.

DETERMINATION OF THE LOCAL STRUCTURE OF METALLIC GLASSES BY EXAFS

1982 ◽  
Vol 43 (C9) ◽  
pp. C9-43-C9-46 ◽  
Author(s):  
A. Sadoc ◽  
A. M. Flank ◽  
D. Raoux ◽  
P. Lagarde
Keyword(s):  
Metallic Glasses ◽  
Local Structure

LOCAL STRUCTURE IN InGaAsP QUATERNARY ALLOYS

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-423-C8-426
Author(s):  
H. OYANAGI ◽  
Y. TAKEDA ◽  
T. MATSUSHITA ◽  
T. ISHIGURO ◽  
A. SASAKI
Keyword(s):  
Local Structure ◽  
Quaternary Alloys

LOCAL STRUCTURE AND THERMODYNAMICS OF II-VI AND III-V SEMICONDUCTORS BY EXAFS

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-403-C8-406
Author(s):  
N. MOTTA ◽  
A. BALZAROTTI ◽  
P. LETARDI
Keyword(s):  
Local Structure

Engineering Porosity Through Defects in a Giant Pore Metal–Organic Framework

2020 ◽  
Author(s):  
Adam Sapnik ◽  
Duncan Johnstone ◽  
Sean M. Collins ◽  
Giorgio Divitini ◽  
Alice Bumstead ◽  
...  
Keyword(s):  
Distribution Function ◽  
Ball Milling ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Defect Engineering ◽  
Metal Organic ◽  
Unsaturated Metal Sites

<p>Defect engineering is a powerful tool that can be used to tailor the properties of metal–organic frameworks (MOFs). Here, we incorporate defects through ball milling to systematically vary the porosity of the giant pore MOF, MIL-100 (Fe). We show that milling leads to the breaking of metal–linker bonds, generating more coordinatively unsaturated metal sites, and ultimately causes amorphisation. Pair distribution function analysis shows the hierarchical local structure is partially</p><p>retained, even in the amorphised material. We find that the solvent toluene stabilises the MIL-100 (Fe) framework against collapse and leads to a substantial rentention of porosity over the non-stabilised material.</p>

Does Local Structure Bias How a Crystal Nucleus Evolves?

2018 ◽  
Author(s):  
Kyle Hall ◽  
Zhengcai Zhang ◽  
Christian Burnham ◽  
Guang-Jun Guo ◽  
Sheelagh Carpendale ◽  
...  
Keyword(s):  
Local Structure ◽  
Molecular Level ◽  
Hydrate Formation ◽  
Mixed Gas ◽  
Local Structures ◽  
Surrounding Environment ◽  
Gas Hydrate Formation ◽  
Significant Research ◽  
Crystal Phases ◽  
Recent Experimental Work

<p>The broad scientific and technological importance of crystallization has led to significant research probing and rationalizing crystallization processes, particularly how nascent</p> <p>crystal phases appear. Previous work has generally neglected the possibility of the molecular-level dynamics of individual nuclei coupling to local structures (e.g., that of the nucleus and its</p> <p>surrounding environment). However, recent experimental work has conjectured that this can occur. Therefore, to address a deficiency in scientific understanding of crystallization, we have</p> <p>probed the nucleation of prototypical single and multi-component crystals (specifically, ice and mixed gas hydrates). Here, we establish that local structures can bias the evolution of nascent</p> <p>crystal phases on a nanosecond timescale by, for example, promoting the appearance or disappearance of specific crystal motifs, and thus reveal a new facet of crystallization behaviour.</p> <p>Analysis of the crystallization literature confirms that structural biases are likely present during crystallization processes beyond ice and gas hydrate formation. Moreover, we demonstrate that</p> <p>structurally-biased dynamics are a lens for understanding existing computational and experimental results while pointing to future opportunities.</p>

Does Local Structure Bias How a Crystal Nucleus Evolves?

2018 ◽  
Author(s):  
Kyle Hall ◽  
Zhengcai Zhang ◽  
Christian Burnham ◽  
Guang-Jun Guo ◽  
Sheelagh Carpendale ◽  
...  
Keyword(s):  
Local Structure ◽  
Molecular Level ◽  
Hydrate Formation ◽  
Mixed Gas ◽  
Local Structures ◽  
Surrounding Environment ◽  
Gas Hydrate Formation ◽  
Significant Research ◽  
Crystal Phases ◽  
Recent Experimental Work

<p>The broad scientific and technological importance of crystallization has led to significant research probing and rationalizing crystallization processes, particularly how nascent</p> <p>crystal phases appear. Previous work has generally neglected the possibility of the molecular-level dynamics of individual nuclei coupling to local structures (e.g., that of the nucleus and its</p> <p>surrounding environment). However, recent experimental work has conjectured that this can occur. Therefore, to address a deficiency in scientific understanding of crystallization, we have</p> <p>probed the nucleation of prototypical single and multi-component crystals (specifically, ice and mixed gas hydrates). Here, we establish that local structures can bias the evolution of nascent</p> <p>crystal phases on a nanosecond timescale by, for example, promoting the appearance or disappearance of specific crystal motifs, and thus reveal a new facet of crystallization behaviour.</p> <p>Analysis of the crystallization literature confirms that structural biases are likely present during crystallization processes beyond ice and gas hydrate formation. Moreover, we demonstrate that</p> <p>structurally-biased dynamics are a lens for understanding existing computational and experimental results while pointing to future opportunities.</p>

Application of In Situ X-ray Absorption Spectroscopy to Study Dilute Chromium Ions in a Molten Chloride Salt

2019 ◽  
Author(s):  
Jisue Moon ◽  
Carter Abney ◽  
Dmitriy Dolzhnikov ◽  
James M. Kurley ◽  
Kevin A. Beyer ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Local Structure ◽  
Chloride Salt ◽  
X Ray ◽  
Molten Chloride ◽  
Stable Species ◽  
Higher Temperature ◽  
Cr Concentration ◽  
X Ray Absorption

The local structure of dilute CrCl<sub>3</sub> in a molten MgCl<sub>2</sub>:KCl salt was investigated by <i>in situ</i> x-ray absorption spectroscopy (XAS) at temperatures from room temperature to 800<sup>o</sup>C. This constitutes the first experiment where dilute Cr speciation is explored in a molten chloride salt, ostensibly due to the compounding challenges arising from a low Cr concentration in a matrix of heavy absorbers at extreme temperatures. CrCl<sub>3</sub> was confirmed to be the stable species between 200 and 500<sup>o</sup>C, while mobility of metal ions at higher temperature (>700<sup>o</sup>C) prevented confirmation of the local structure.

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