Reduction mechanisms of ethylene carbonate on si anodes of lithium-ion batteries: Effects of degree of lithiation and nature of exposed surface

ACS Applied Materials and Interfaces

Volumn 5, Issue 24, 2013, Pages 13457-13465

  Martinez De La Hoz, Julibeth M ^a   Leung, Kevin ^b   Balbuena, Perla B ^a  

^a Texas AandM University   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Ab initio molecular dynamics; Li ion batteries; Solid electrolyte interphase reaction; Solvent reduction

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; CRYSTALLINE FACETS; LI-ION BATTERIES; LITHIUM-ION BATTERY; REDUCTION MECHANISMS; SOLID ELECTROLYTE INTERPHASE; TWO-ELECTRON REDUCTION;

CARBONATION; ELECTRONS; ETHYLENE; FUNCTIONAL GROUPS; LIQUIDS; LITHIUM; LITHIUM BATTERIES; MOLECULAR DYNAMICS; MOLECULES; REACTION KINETICS; SILICON; SOLID ELECTROLYTES;

AMORPHOUS SILICON;

1,3 DIOXOLANE DERIVATIVE; ELECTROLYTE; ETHYLENE CARBONATE; ION; LITHIUM; SILICON;

ARTICLE; CHEMISTRY; ELECTRODE; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; OXIDATION REDUCTION REACTION; POWER SUPPLY; SURFACE PROPERTY;

DIOXOLANES; ELECTRIC POWER SUPPLIES; ELECTRODES; ELECTROLYTES; ELECTRON TRANSPORT; IONS; LITHIUM; MOLECULAR DYNAMICS SIMULATION; OXIDATION-REDUCTION; SILICON; SURFACE PROPERTIES;

EID: 84891377224     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am404365r     Document Type: Article

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