Atomic Insight into the Lithium Storage and Diffusion Mechanism of SiO2/Al2O3 Electrodes of Lithium Ion Batteries: ReaxFF Reactive Force Field Modeling

Journal of Physical Chemistry A

Volumn 120, Issue 13, 2016, Pages 2114-2127

  Ostadhossein, Alireza ^a   Kim, Sung Yup ^b   Cubuk, Ekin D ^c   Qi, Yue ^b   Van Duin, Adri C T ^a  

^a The Pennsylvania State University   (United States)

^b Michigan State University   (United States)

^c HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; ALUMINUM; ALUMINUM COATINGS; ANODES; COATINGS; CRYSTALLINE MATERIALS; ELECTRIC BATTERIES; ELECTRIC DISCHARGES; ELECTRODES; LITHIUM; LITHIUM ALLOYS; LITHIUM COMPOUNDS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; SECONDARY BATTERIES; SILICA; SILICON; SILICON BATTERIES; SILICON OXIDES;

ANISOTROPIC DIFFUSIVITY; CRYSTALLINE-TO-AMORPHOUS; DIFFUSION MECHANISMS; DISCHARGE POTENTIAL; GRAND CANONICAL MONTE CARLO; NANOSTRUCTURED SILICON; REACTIVE FORCE FIELD; VOLUMETRIC EXPANSION;

LITHIUM-ION BATTERIES;

EID: 84963944003     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b11908     Document Type: Article

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