Emergence of Metallic Properties at LiFePO4 Surfaces and LiFePO4/Li2S Interfaces: An Ab Initio Study

ACS Applied Materials and Interfaces

Volumn 7, Issue 33, 2015, Pages 18362-18368

  Timoshevskii, Vladimir ^a   Feng, Zimin ^a   Bevan, Kirk H ^b   Zaghib, Karim ^a  

^a HYDRO QUÉBEC   (Canada)

^b MCGILL UNIVERSITY   (Canada)

Author keywords

density functional theory; electronic structure; gap states; interface; Li2S; LiFePO4; lithium sulfur batteries

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; GAS ADSORPTION; INTERFACES (MATERIALS); LITHIUM; LITHIUM ALLOYS; LITHIUM BATTERIES; LITHIUM COMPOUNDS; SULFUR;

CONDUCTING CHANNELS; CONDUCTING LAYERS; GAP STATE; INTERFACE CONDUCTIVITY; LIFEPO; LITHIUM SULFUR BATTERIES; METALLIC PROPERTIES; TOTAL ENERGY CALCULATION;

INTERFACE STATES;

EID: 84940481978     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.5b04108     Document Type: Article

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