scholarly journals Synthesis, local structure and optical property studies of α-SnS microrods by synchrotron X-ray pair distribution function and micro-Raman shift

RSC Advances ◽  
2020 ◽  
Vol 10 (36) ◽  
pp. 21277-21282
Author(s):  
U. P. Gawai ◽  
D. K. Gaikwad ◽  
S. L. Patil ◽  
K. K. Pandey ◽  
N. P. Lalla ◽  
...  
Keyword(s):  
Distribution Function ◽  
Optical Property ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Layer Structure ◽  
Raman Shift ◽  
X Ray ◽  
Bond Lengths

The PDF refinement shows layer structure of SnS-A with two distinct bond lengths, one nearly parallel to the ‘a’ axis and another perpendicular to the ‘a’ axis, it corresponds to bond lengths of 2.62528 (38) Å and 2.66204 (03) Å.

Evidence for a Universal Relationship Between Magnetization and Changes in the Local Structure

2003 ◽  
Vol 17 (18n20) ◽  
pp. 3726-3728 ◽  
Author(s):  
L. Downward ◽  
F. Bridges ◽  
D. Cao ◽  
J. Neumeier ◽  
L. Zhou
Keyword(s):  
Magnetic Field ◽  
Distribution Function ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Colossal Magnetoresistance ◽  
X Ray ◽  
Polaron State ◽  
Universal Relationship ◽  
High Fields ◽  
X Ray Absorption

X-ray Absorption Fine Structure (XAFS) measurements of the colossal magnetoresistance (CMR) sample La 0.79 Ca 0.21 MnO 3 at high fields indicate a decrease in the width parameter of the pair distribution function, σ, as the applied magnetic field is increased for T near Tc. The change in σ2 from the disordered polaron state varies approximately exponentially with magnetization irrespective of whether the sample magnetization was achieved through a change in temperature or the application of an external magnetic field. This suggests a more universal relationship between local structure and the sample magnetization than was previously indicated.

scholarly journals Local structural studies on Co doped ZnS nanowires by synchrotron X-ray atomic pair distribution function and micro-Raman shift

RSC Advances ◽  
2017 ◽  
Vol 7 (59) ◽  
pp. 37402-37411 ◽  
Author(s):  
U. P. Gawai ◽  
B. N. Dole
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Scattering Data ◽  
Raman Shift ◽  
X Ray ◽  
Atomic Structures ◽  
Atomic Pair Distribution Function ◽  
X Ray Scattering ◽  
Atomic Pair

The atomic structures of nanowires were studied by X-ray atomic pair distribution function analysis and total synchrotron X-ray scattering data. A PDF method was used to describe a wurtzite and zinc-blended mixed phase model.

Doping effect on the local structure of metamagnetic Co doped Ni/NiO:GO core–shell nanoparticles using X-ray absorption spectroscopy and the pair distribution function

2019 ◽  
Vol 21 (3) ◽  
pp. 1294-1307 ◽  
Author(s):  
U. P. Gawai ◽  
D. K. Gaikwad ◽  
M. R. Bodke ◽  
H. A. Khawal ◽  
K. K. Pandey ◽  
...  
Keyword(s):  
Distribution Function ◽  
Absorption Spectroscopy ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Core Shell ◽  
Shell Nanoparticles ◽  
X Ray ◽  
Core Shell Nanoparticles ◽  
X Ray Absorption ◽  
Co Doped

Core–shell nanoparticles of Co doped Ni/NiO and incorporated GO sheets evidenced that the metamagnetic behavior at 5 K to 300 K temperatures.

Real-Space X-Ray Pair Distribution Function Analysis and Molecular-Dynamics Modelling of Diflunisal Channel Hydrates

2020 ◽  
Author(s):  
Anuradha Pallipurath ◽  
Francesco Civati ◽  
Jonathan Skelton ◽  
Dean Keeble ◽  
Clare Crowley ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Structural Dynamics ◽  
First Principles ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Real Space ◽  
X Ray ◽  
Dynamics Modelling ◽  
Dynamics Simulations

X-ray pair distribution function analysis is used with first-principles molecular dynamics simulations to study the co-operative H<sub>2</sub>O binding, structural dynamics and host-guest interactions in the channel hydrate of diflunisal.

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>

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