New insights on the reversible lithiation mechanism of TiO2(B) by operando X-ray absorption spectroscopy and X-ray diffraction assisted by first-principles calculations

Journal of Physical Chemistry C

Volumn 118, Issue 47, 2014, Pages 27210-27218

  Fehse, Marcus ^a   Ben Yahia, Mouna ^a,b   Monconduit, Laure ^a,b   Lemoigno, Frédéric ^a,b   Doublet, Marie Liesse ^a,b   Fischer, Florent ^c   Tessier, Cécile ^c   Stievano, Lorenzo ^a,b  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b CNRS FR3459   (France)

^c CHU SART TILMAN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL ANALYSIS; DENSITY FUNCTIONAL THEORY; LITHIUM; TITANIUM DIOXIDE; X RAY ABSORPTION SPECTROSCOPY; X RAY DIFFRACTION;

ANISOTROPIC LATTICES; COORDINATION SHELLS; ELECTROCHEMICAL CYCLING; ELECTROCHEMICAL SIGNATURES; FIRST-PRINCIPLES CALCULATION; GLOBAL AND LOCAL STRUCTURES; INSERTION MECHANISM; STRUCTURAL RESPONSE;

BOND LENGTH;

EID: 84949117599     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp507574e     Document Type: Article

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