Electronic structure of sodium superoxide bulk, (100) surface, and clusters using hybrid density functional: Relevance for Na-O2 batteries

Journal of Physical Chemistry Letters

Volumn 6, Issue 11, 2015, Pages 2027-2031

  Arcelus, Oier ^a   Li, Chunmei ^a   Rojo, Teófilo ^a,b   Carrasco, Javier ^a  

^a CIC ENERGIGUNE   (Spain)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

density functional theory; electronic properties of NaO2; energy storage; Na air battery; NaO2

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRIC BATTERIES; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY STORAGE; MORPHOLOGY;

CAPACITY LIMITATION; DENSITY FUNCTIONAL THEORY STUDIES; ELECTROCHEMICAL BEHAVIORS; ELECTRON TRANSPORT; HYBRID DENSITY FUNCTIONAL; HYBRID FUNCTIONAL; NAO2; STRUCTURE AND MORPHOLOGY;

SODIUM COMPOUNDS;

EID: 84930653238     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b00814     Document Type: Article

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