Local structure inBaTi1−xZrxO3relaxors from neutron pair distribution function analysis

2009 ◽  
Vol 79 (6) ◽  
Author(s):  
C. Laulhé ◽  
F. Hippert ◽  
R. Bellissent ◽  
A. Simon ◽  
G. J. Cuello
Keyword(s):  
Distribution Function ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Neutron Pair

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>

scholarly journals Local Structure ofLa1−xSrxCoO3Determined from EXAFS and Neutron Pair Distribution Function Studies

2009 ◽  
Vol 102 (2) ◽  
Author(s):  
N. Sundaram ◽  
Y. Jiang ◽  
I. E. Anderson ◽  
D. P. Belanger ◽  
C. H. Booth ◽  
...  
Keyword(s):  
Distribution Function ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Neutron Pair

Local Atomic Ordering in BaTaO2N Studied by Neutron Pair Distribution Function Analysis and Density Functional Theory.

ChemInform ◽  
2007 ◽  
Vol 38 (42) ◽  
Author(s):  
Katharine Page ◽  
Matthew W. Stoltzfus ◽  
Young-Il Kim ◽  
Thomas Proffen ◽  
Patrick M. Woodward ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Density Functional ◽  
Function Analysis ◽  
Atomic Ordering ◽  
Functional Theory ◽  
Neutron Pair
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