DFT study of the role of Al3+ in the fast ion-conductor Li 7-3xAl3+xLa3Zr2O 12 garnet

Chemistry of Materials

Volumn 26, Issue 8, 2014, Pages 2617-2623

  Rettenwander, Daniel ^a   Blaha, Peter ^b   Laskowski, Robert ^c   Schwarz, Karlheinz ^b   Bottke, Patrick ^d   Wilkening, Martin ^d   Geiger, Charles A ^a   Amthauer, Georg ^a  

^a UNIVERSITY OF SALZBURG   (Austria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^c INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^d GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; GARNETS; IONS; LITHIUM; ZIRCONIUM;

CRYSTALLOGRAPHIC SITES; DFT STUDY; ISOTROPIC CHEMICAL SHIFTS; NMR CHEMICAL SHIFTS; OCTAHEDRAL COORDINATION; OXYGEN COORDINATION; QUADRUPOLE COUPLING CONSTANTS; SITE OCCUPANCY;

ALUMINUM;

EID: 84899459251     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm5000999     Document Type: Article

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