Probing local structure in the yellow phosphor LaSr2AlO5 : Ce3+, by the maximum entropy method and pair distribution function analysis

2009 ◽  
Vol 19 (46) ◽  
pp. 8761 ◽  
Author(s):  
Won Bin Im ◽  
Katharine Page ◽  
Steven P. DenBaars ◽  
Ram Seshadri
Keyword(s):  
Distribution Function ◽  
Maximum Entropy ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Maximum Entropy Method ◽  
Function Analysis ◽  
Entropy Method ◽  
Yellow Phosphor

Structural Analysis of Al, Ni, and Cu Using the Maximum Entropy Method, Multipole and Pair Distribution Function

2009 ◽  
Vol 64 (5-6) ◽  
pp. 361-369 ◽  
Author(s):  
Muthaian Charles Robert ◽  
Ramachandran Saravanan ◽  
Krishnamoorthy Saravanakumar ◽  
Murugesan Prema Rani
Keyword(s):  
Distribution Function ◽  
Maximum Entropy ◽  
Electron Density ◽  
Pair Distribution Function ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
Cell Parameters ◽  
Pdf Analysis ◽  
Spherical Core ◽  
Electron Density Profiles

The average and local structures of the metals Al, Ni, and Cu have been elucidated for the first time using the MEM (maximum entropy method), multipole and PDF (pair distribution function). The bonding between the constituent atoms in all these systems is found to be well pronounced and clearly seen from the electron density maps. The MEM maps of all three systems show the spherical core nature of the atoms. The mid bond electron density profiles of Al, Ni, and Cu reveal the metallic nature of the bonding. The local structure using the PDF profile of Ni is compared with that of previously reported results. The R value in the present work using low Q XRD data for the PDF analysis of Ni is close to the value in the literature using high Q synchrotron data. The cell parameters and displacement parameters are also studied and compared with the reported values.

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 of In0.5Ga0.5As from joint high-resolution and differential pair distribution function analysis

2000 ◽  
Vol 88 (2) ◽  
pp. 665-672 ◽  
Author(s):  
V. Petkov ◽  
I.-K. Jeong ◽  
F. Mohiuddin-Jacobs ◽  
Th. Proffen ◽  
S. J. L. Billinge ◽  
...  
Keyword(s):  
Distribution Function ◽  
High Resolution ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Differential Pair

scholarly journals Mechanistic insights into sodium storage in hard carbon anodes using local structure probes

2016 ◽  
Vol 52 (84) ◽  
pp. 12430-12433 ◽  
Author(s):  
Joshua M. Stratford ◽  
Phoebe K. Allan ◽  
Oliver Pecher ◽  
Philip A. Chater ◽  
Clare P. Grey
Keyword(s):  
Distribution Function ◽  
Local Structure ◽  
Solid State Nmr ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Sodium Ion ◽  
Sodium Ion Batteries ◽  
Hard Carbon ◽  
Carbon Anodes ◽  
Sodium Storage

Hard carbon anodes for sodium-ion batteries are probed using solid state NMR and pair distribution function analysis.

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