Local structures of rare earth phosphate minerals by NMR

Local structures of rare earth phosphate minerals by NMR

31P solid state NMR studies combined with DFT calculations were conducted over a chosen series of rare earth element phosphates (REEPO4s), selected on the basis of the size and magnetic properties of REEs (La, Sm, Lu and Yb). PXRD analysis revealed the presence of rhabdophane (La, Sm), monazite (La)...

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Bibliographic Details
Main Authors: Kantola, A.M (Author), Khalili, R. (Author), Lantto, P. (Author), Larsson, A.-C (Author), Telkki, V.-V (Author)
Format: Article
Language:English
Published: Academic Press Inc. 2022
Subjects:
31P solid state NMR
Bulk structure
Computational chemistry
Density functional theory
DFT calculation
DFT calculations
Light polarization
Local structure
Molecules
NMR studies
Nuclear magnetic resonance spectroscopy
Phosphate minerals
Quantum chemistry
Rare earth elements
Rare earth phosphate structure
Rare earth phosphates
Rare earths
Rhabdophane
Solid state NMR
Surface chemistry
Surface hydration
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