Probing cation and vacancy ordering in the dry and hydrated yttrium-substituted BaSnO 3 perovskite by NMR spectroscopy and first principles calculations: Implications for proton mobility

Journal of the American Chemical Society

Volumn 134, Issue 35, 2012, Pages 14483-14498

  Buannic, Lucienne ^a   Blanc, Frédéric ^a,b   Middlemiss, Derek S ^b   Grey, Clare P ^a,b  

^a STONY BROOK UNIVERSITY   (United States)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

B-SITE CATIONS; CATION ORDERING; DRY MATERIALS; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES CALCULATION; FIVE-COORDINATED; HIGH CONDUCTIVITY; HIGH TEMPERATURE; MULTINUCLEAR NMR SPECTROSCOPY; OXYGEN MOBILITY; PROTON MOBILITY; PROTONIC; PROTONIC CONDUCTORS; SUB-LATTICES; TOTAL ENERGY; VACANCY ORDERING; Y-DOPING;

DENSITY FUNCTIONAL THEORY; HYDRATES; HYDRATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PEROVSKITE; POSITIVE IONS; PROTONS; VACANCIES; YTTRIUM;

TIN;

BARIUM; CATION; OXYGEN; OXYGEN 17; PEROVSKITE; PROTON; TIN; YTTRIUM;

ARTICLE; CALCULATION; CONDUCTANCE; CONTROLLED STUDY; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; HIGH TEMPERATURE; HYDRATION; MOLECULAR PROBE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; SUBSTITUTION REACTION;

EID: 84865763592     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja304712v     Document Type: Article

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