Characterization of the dynamics in the protonic conductor CsH2PO4 by 17O solid-state NMR spectroscopy and first-principles calculations: Correlating phosphate and protonic motion

Journal of the American Chemical Society

Volumn 137, Issue 11, 2015, Pages 3867-3876

  Kim, Gunwoo ^a   Griffin, John M ^a   Blanc, Frédéric ^a,d   Haile, Sossina M ^b   Grey, Clare P ^a,c  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b California Institute of Technology   (United States)

^c STONY BROOK UNIVERSITY   (United States)

^d UNIVERSITY OF LIVERPOOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; HYDROGEN BONDS; IONS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; RATE CONSTANTS;

FIRST-PRINCIPLES CALCULATION; MOTION OF INDIVIDUAL; PARAELECTRIC PHASE; PROTONIC CONDUCTORS; SOLID-STATE NMR SPECTROSCOPY; TEMPERATURE STRUCTURE; TRANSLATIONAL MOTIONS; VARIABLE TEMPERATURE;

ROTATION;

ANION; PHOSPHATE; PROTON;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; O 17 NUCLEAR MAGNETIC RESONANCE SPECTROMETRY; PROTON TRANSPORT; ROOM TEMPERATURE; SOLID STATE; SUBURETHRAL SLING;

EID: 84925773801     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.5b00280     Document Type: Article

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