Electric field tuning of oxygen stoichiometry at oxide surfaces: Molecular dynamics simulations studies of zirconia

Energy and Environmental Science

Volumn 2, Issue 11, 2009, Pages 1196-1204

  Sankaranarayanan, Subramanian K R S ^a   Kaxiras, Efthimios ^a   Ramanathan, Shriram ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS OXIDES; APPLIED ELECTRIC FIELD; APPLIED FIELD; CORROSION-RESISTANT COATING; DYNAMICAL CORRELATION FUNCTIONS; ELECTROLYTE MEMBRANE; ELECTRONIC DEVICE; EXPERIMENTAL OBSERVATION; FUEL CLADDING; FUNCTIONAL PROPERTIES; IONIC MIGRATION; LIGHT WATER; LOCAL ELECTRIC FIELD; MOLECULAR DYNAMICS SIMULATIONS; NATURAL OXIDATION; NEAR STOICHIOMETRIC; NEAR SURFACE REGIONS; NON-STOICHIOMETRY; OXIDATION KINETICS; OXIDE SURFACE; OXYGEN CONCENTRATIONS; OXYGEN DEFICIENT; OXYGEN INCORPORATION; OXYGEN NON-STOICHIOMETRY; OXYGEN STOICHIOMETRY; PRESSURE TUBES; TECHNOLOGICAL APPLICATIONS; ULTRA-THIN; ULTRA-THIN OXIDE; ULTRA-THIN OXIDE FILMS; ULTRATHIN ZIRCONIA FILMS;

ACTIVATION ENERGY; CLADDING (COATING); CRACK INITIATION; ELECTRIC FIELD MEASUREMENT; ELECTRIC FIELDS; ENERGY BARRIERS; FUEL CELLS; HEAVY WATER; IONIZATION OF LIQUIDS; MEMBRANES; MOLECULAR DYNAMICS; NUCLEAR ENERGY; NUCLEAR PROPULSION; OXIDATION; OXIDE FILMS; REACTOR SHUTDOWNS; SCALE (DEPOSITS); STOICHIOMETRY; ZIRCONIA; ZIRCONIUM;

MOLECULAR OXYGEN;

ACTIVATION ENERGY; AMORPHOUS MEDIUM; CATALYSIS; ELECTRIC FIELD; ELECTROLYTE; FUEL CELL; MEMBRANE; NUCLEAR POWER PLANT; OXIDATION; REACTION KINETICS; STOICHIOMETRY; ZIRCON;

EID: 72249108989     PISSN: 17545692     EISSN: 17545706     Source Type: Journal    
DOI: 10.1039/b913154j     Document Type: Article

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