Ozone adsorption on carbon nanotubes: The role of Stone-Wales defects

Journal of Chemical Physics

Volumn 120, Issue 15, 2004, Pages 7147-7152

  Picozzi, S ^a   Santucci, S ^a   Lozzi, L ^a   Valentini, L ^b   Delley, B ^c  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b UNIVERSITY OF PERUGIA   (Italy)

^c PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; CHARGE TRANSFER; CHEMICAL BONDS; CHEMISORPTION; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC PROPERTIES; GRAPHITE; MEASUREMENT ERRORS; OZONE; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY (DFT); PHYSISORPTION; STONE-WALES DEFECTS; STRUCTURAL RELAXATIONS;

CARBON NANOTUBES;

EID: 2342511049     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1669381     Document Type: Article

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