DFT+U calculations and XAS study: Further confirmation of the presence of CoO5 square-based pyramids with IS-Co3+ in Li-overstoichiometric LiCoO2

Journal of Physical Chemistry C

Volumn 117, Issue 50, 2013, Pages 26493-26500

  Carlier, Dany ^a   Cheng, Ju Hsiang ^b   Pan, Chun Jern ^b   Ménétrier, Michel ^a   Delmas, Claude ^a   Hwang, Bing Joe ^b  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BASAL PLANES; DFT + U CALCULATIONS; INTERMEDIATE SPINS; LI-ION BATTERIES; MODEL MATERIALS; POSITIVE ELECTRODE MATERIALS; SUPER CELL; THEORETICAL STUDY;

CARBON DIOXIDE; CHEMICAL BONDS; COBALT COMPOUNDS; DEFECTS; ELECTRONIC STRUCTURE; IONS; LITHIUM; SPIN DYNAMICS; X RAY ABSORPTION NEAR EDGE STRUCTURE SPECTROSCOPY; X RAY ABSORPTION SPECTROSCOPY;

COBALT;

EID: 84890824195     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp409850q     Document Type: Article

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