Cation disorder in pyrochlore ceramics: 89Y MAS NMR and first-principles calculations

Journal of Physical Chemistry C

Volumn 113, Issue 43, 2009, Pages 18874-18883

  Reader, Simon W ^a,b,c   Mitchell, Martin R ^a,b,c   Johnston, Karen E ^a,b,c   Pickard, Chris J ^a,b,c   Whittle, Karl R ^a,b,c   Ashbrook, Sharon E ^a,b,c  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

B-SITE CATIONS; BOND ANGLE; BOND DISTANCE; CATION DISORDER; DISORDERED MATERIALS; EQUILIBRIUM STRUCTURES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DFT CALCULATIONS; ISOTROPIC CHEMICAL SHIFTS; LOCAL GEOMETRY; LOCAL STRUCTURE; LONG RANGE ORDERS; MAS NMR; NMR SPECTRUM; PYROCHLORES; RANDOM DISTRIBUTION; SENSITIVE PROBE; SPECTRAL ANALYSIS; SPLITTINGS;

CHEMICAL SHIFT; COORDINATION REACTIONS; INDUSTRIAL WASTE TREATMENT; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POSITIVE IONS; RADIOACTIVE WASTE ENCAPSULATION; RADIOACTIVE WASTES; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS; SULFUR COMPOUNDS;

NUCLEAR MAGNETIC RESONANCE;

EID: 70449574189     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp906764e     Document Type: Article

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