Molecular modeling of alkyl and alkenyl monolayers on hydrogen-terminated Si(111)

Langmuir

Volumn 27, Issue 3, 2011, Pages 972-980

  Scheres, Luc ^a   Rijksen, Bart ^a   Giesbers, Marcel ^a   Zuilhof, Han ^a  

^a WAGENINGEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

1-ALKENES; 1-ALKYNES; ALKENYL; ALKYL MONOLAYERS; CHAIN CONFORMATIONS; ENERGY MINIMIZATION; G-3 CALCULATIONS; H-SI (111); HIGH QUALITY; HYDROGEN-TERMINATED SI(111); LANGMUIRS; MODIFIED SURFACES; MOLECULAR MECHANICS CALCULATIONS; MONOLAYER FORMATION; MONOLAYER STRUCTURES; OCTADECYL; PACKING ENERGY; REACTION EXOTHERMICITY; SI (1 1 1); SI SURFACES; STRUCTURAL DIFFERENCES; SUBSTITUTION PATTERNS; SURFACE COVERAGES; THERMODYNAMIC FEASIBILITY; TOTAL ENERGY; VAN DER WAALS;

ACETYLENE; ALKYLATION; BINDING ENERGY; DEFORMATION; ELECTRON ENERGY LEVELS; HYDROGEN; MOLECULAR MECHANICS; MOLECULAR MODELING; NUCLEAR ENERGY; OLEFINS; OPTIMIZATION; POTENTIAL ENERGY; SILICON; VAN DER WAALS FORCES;

MONOLAYERS;

EID: 79952767209     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la104705b     Document Type: Article

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