DFT study of NH3 dissociation on Si(1 1 1)-7 × 7. The role of intermolecular interactions

Surface Science

Volumn 601, Issue 8, 2007, Pages 1870-1875

  Ferullo, Ricardo M ^a   Fuente, Silvia A ^a   Belelli, Patricia G ^a   Castellani, Norberto J ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

Author keywords

Cluster model; DFT; NH3; Si(1 1 1) 7 7; Silicon surface

Indexed keywords

ADATOMS; ADSORPTION; CHEMISORPTION; DANGLING BONDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY BARRIERS; SILICON;

CLUSTER MODEL; ELECTRON TRANSFER; INTERMOLECULAR INTERACTIONS; SILICON SURFACE;

AMMONIA;

EID: 34047271111     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.02.013     Document Type: Article

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