Simulating the reactivity of a disordered surface of the TiCN thin film

Journal of Physical Chemistry C

Volumn 115, Issue 31, 2011, Pages 15432-15439

  Perrine, Kathryn A ^a   Rodríguez Reyes, Juan Carlos F ^a   Teplyakov, Andrew V ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC COMPOSITIONS; CLUSTER MODELS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DESIGN MODELS; DISORDERED STRUCTURES; DISORDERED SURFACES; FILM DEPOSITION; LOCALIZED INTERACTION; PROBE MOLECULES; SURFACE REACTIVITY; SURFACE SITES; TI ATOMS; TICN FILMS; ULTRA-THIN;

ADSORPTION; C (PROGRAMMING LANGUAGE); COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DEPOSITION; FILM GROWTH; SURFACE CHEMISTRY; TEMPERATURE PROGRAMMED DESORPTION; ULTRATHIN FILMS;

SURFACES;

EID: 79961245358     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp203294d     Document Type: Article

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