First-principles studies of the effects of impurities on the ionic and electronic conduction in LiFePO 4

Journal of Power Sources

Volumn 206, Issue , 2012, Pages 274-281

  Hoang, Khang ^a,b   Johannes, Michelle D ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

^b GEORGE MASON UNIVERSITY   (United States)

Author keywords

Conductivity; Doping; First principles calculations; Impurities; Lithium iron phosphate

Indexed keywords

DENSITY-FUNCTIONAL THEORY CALCULATIONS; EFFECTS OF IMPURITIES; ELECTRICAL CONDUCTIVITY; ELECTRICALLY ACTIVE IMPURITIES; ELECTRONIC CONDUCTIVITY; EXPERIMENTAL STUDIES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES STUDY; IONIC AND ELECTRONIC CONDUCTION; LI-ION BATTERIES; LIFEPO; LITHIUM IRON PHOSPHATE; LITHIUM VACANCY; SMALL HOLE;

CALCULATIONS; DOPING (ADDITIVES); ELECTRIC CONDUCTIVITY; ELECTROCHEMICAL CELLS; HOLE CONCENTRATION; IONIC CONDUCTION; LITHIUM; LITHIUM ALLOYS; OLIVINE; POINT DEFECTS; POLARONS; SODIUM; ZIRCONIUM;

IMPURITIES;

EID: 84857920471     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2012.01.126     Document Type: Article

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