Structural analysis of molecular materials using the pair distribution function
This is a review of atomic pair distribution function (PDF) analysis as applied to the study of
molecular materials. The PDF method is a powerful approach to study short-and …
molecular materials. The PDF method is a powerful approach to study short-and …
On EXAFS Debye-Waller factor and recent advances
P Fornasini, R Grisenti - Journal of synchrotron radiation, 2015 - scripts.iucr.org
The effects of structural and vibrational disorder on the EXAFS signals are parameterized in
terms of the Debye Waller (DW) factor. Here the vibrational contribution is addressed, which …
terms of the Debye Waller (DW) factor. Here the vibrational contribution is addressed, which …
Mechanochemical Synthesis: A Tool to Tune Cation Site Disorder and Ionic Transport Properties of Li3MCl6 (M = Y, Er) Superionic Conductors
The lithium‐conducting, rare‐earth halides, Li3MX6 (M= Y, Er; X= Cl, Br), have garnered
significantly rising interest recently, as they have been reported to have oxidative stability …
significantly rising interest recently, as they have been reported to have oxidative stability …
Lithium ion conductivity in Li 2 S–P 2 S 5 glasses–building units and local structure evolution during the crystallization of superionic conductors Li 3 PS 4, Li 7 P 3 S 11 …
C Dietrich, DA Weber, SJ Sedlmaier, S Indris… - Journal of Materials …, 2017 - pubs.rsc.org
Motivated by the high lithium ion conductivities of lithium thiophosphate glasses, a detailed
study is performed on the local chemical nature of the thiophosphate building units within …
study is performed on the local chemical nature of the thiophosphate building units within …
[HTML][HTML] An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy
The formation of single phase solid solutions from combinations of multiple principal
elements, with differing atomic radii, has led to the suggestion that the lattices of high …
elements, with differing atomic radii, has led to the suggestion that the lattices of high …
Understanding the Instability of the Halide Perovskite CsPbI3 through Temperature‐Dependent Structural Analysis
Despite the tremendous interest in halide perovskite solar cells, the structural reasons that
cause the all‐inorganic perovskite CsPbI3 to be unstable at room temperature remain …
cause the all‐inorganic perovskite CsPbI3 to be unstable at room temperature remain …
Severe local lattice distortion in Zr-and/or Hf-containing refractory multi-principal element alloys
Whereas exceptional mechanical and radiation performances have been found in the
emergent body-centered cubic (BCC) refractory multi-principal element alloys (RMPEAs) …
emergent body-centered cubic (BCC) refractory multi-principal element alloys (RMPEAs) …
Average and local structure, Debye temperature, and structural rigidity in some oxide compounds related to phosphor hosts
The average and local structure of the oxides Ba2SiO4, BaAl2O4, SrAl2O4, and Y2SiO5 are
examined to evaluate crystal rigidity in light of recent studies suggesting that highly …
examined to evaluate crystal rigidity in light of recent studies suggesting that highly …
Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles
The relationship between the equations used in the atomic pair distribution function (PDF)
method and those commonly used in small-angle-scattering (SAS) analyses is explicitly …
method and those commonly used in small-angle-scattering (SAS) analyses is explicitly …
Probing atomic distributions in mono-and bimetallic nanoparticles by supervised machine learning
Properties of mono-and bimetallic metal nanoparticles (NPs) may depend strongly on their
compositional, structural (or geometrical) attributes, and their atomic dynamics, all of which …
compositional, structural (or geometrical) attributes, and their atomic dynamics, all of which …