N atoms recombination on a silica surface: A global theoretical approach

Surface Science

Volumn 600, Issue 18, 2006, Pages 4239-4246

  Rutigliano, M ^a   Pieretti, A ^b   Cacciatore, M ^a   Sanna, N ^b   Barone, V ^c  

^a CNR   (Italy)

^b CASPUR   (Italy)

^c UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

Models of surface chemical reactions; Molecular dynamics; S.1: Density functional calculations; S.3: Catalysis

Indexed keywords

CATALYSIS; MOLECULAR DYNAMICS; PHONONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SILICA; SURFACE CHEMISTRY;

DENSITY FUNCTIONAL CALCULATIONS; ELEY-RIDEAL COLLISIONAL MECHANISM; ELEY-RIDEAL RECOMBINATION; REACTION ENERGETICS; SEMICLASSICAL DYNAMICS;

NITROGEN;

EID: 33748930411     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.12.080     Document Type: Article

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