Atomistic insights into the conversion reaction in iron fluoride: A dynamically adaptive force field approach

Journal of the American Chemical Society

Volumn 134, Issue 19, 2012, Pages 8205-8211

  Ma, Ying ^a   Garofalini, Stephen H ^a  

^a The State University of New Jersey   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONVERSION REACTIONS; FE-IONS; FORCE FIELDS; FORCE-FIELD APPROACHES; HIGH CAPACITY; ION CHARGE; IRON CLUSTER; IRON FLUORIDES; LI INTERCALATION; LITHIUM-ION BATTERY; LOW ENERGIES; METAL CATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISM; MULTIPLE VALENCE STATE; NANO SCALE; NANOSCALE METALS; REACTION PATHWAYS; SURFACE ORIENTATION; TEM OBSERVATIONS; TRANSPORT CHANNEL;

FLUORINE COMPOUNDS; IRON COMPOUNDS; MOLECULAR DYNAMICS; NANOTECHNOLOGY; SURFACES;

SURFACE REACTIONS;

FERRIC FLUORIDE; FLUORIDE; IRON; LITHIUM FLUORIDE; NANOCRYSTAL; NANOMATERIAL; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CHEMICAL BOND; CHEMICAL REACTION; DENSITY; ELECTRIC CONDUCTIVITY; ELECTRICITY; INTERCALATION COMPLEX; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; REDUCTION; STOICHIOMETRY; TRANSMISSION ELECTRON MICROSCOPY;

EID: 84862101867     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja301637c     Document Type: Article

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