Gallium preference for the occupation of tetrahedral sites in Lu3(Al5-xGax)O12 multicomponent garnet scintillators according to solid-state nuclear magnetic resonance and density functional theory calculations

2019 ◽  
Vol 126 ◽  
pp. 93-104 ◽  
Author(s):  
Yu.O. Zagorodniy ◽  
V. Chlan ◽  
H. Štěpánková ◽  
Y. Fomichov ◽  
J. Pejchal ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Tetrahedral Sites ◽  
Nuclear Magnetic

A systematic study of 25Mg NMR in paramagnetic transition metal oxides: applications to Mg-ion battery materials

2017 ◽  
Vol 19 (1) ◽  
pp. 613-625 ◽  
Author(s):  
Jeongjae Lee ◽  
Ieuan D. Seymour ◽  
Andrew J. Pell ◽  
Siân E. Dutton ◽  
Clare P. Grey
Keyword(s):  
Density Functional Theory ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Transition Metal Oxides ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Battery Materials ◽  
Nuclear Magnetic Resonance Spectra

Solid-state 25Mg paramagnetic nuclear magnetic resonance spectra were studied both experimentally and with density functional theory calculations.

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