Simulation of gas diffusion and sorption in nanoceramic semiconductors

Journal of Chemical Physics

Volumn 110, Issue 18, 1999, Pages 9244-9253

  Skouras, E D ^a   Burganos, V N ^a   Payatakes, A C ^a  

^a UNIVERSITY OF PATRAS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; GAS SENSING APPLICATIONS; ISOSTERIC HEAT OF ADSORPTION; MOLECULAR DYNAMICS COMPUTATIONS; MONTE CARLO TECHNIQUES; SORPTION CHARACTERISTICS; SURFACE HYDROXYLATIONS; UNIVERSAL FORCE FIELDS;

BINARY MIXTURES; CARBON DIOXIDE; DIFFUSION IN GASES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; BARIUM TITANATE; COMPUTER SIMULATION; COPPER OXIDES; CRYSTAL ATOMIC STRUCTURE; DIFFUSION IN SOLIDS; GAS ADSORPTION; HYDROXYLATION; LATTICE CONSTANTS; MAGNESIA; NANOSTRUCTURED MATERIALS; SEMICONDUCTING TIN COMPOUNDS;

SORPTION; CERAMIC MATERIALS;

GRAND CANONICAL MONTE CARLO (GCMC) METHOD; TIN OXIDE;

EID: 0032607435     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478848     Document Type: Article

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