Surface reaction of alkynes and alkenes with H-Si(111): A density functional theory study
- Author
- TAKEUCHI, Noboru1 ; KANAI, Yosuke1 ; SELLONI, Annabella1
[1] Department of Chemistry, Princeton University, Princeton, New Jersey 08540, United States - Source
Journal of the American Chemical Society. 2004, Vol 126, Num 48, pp 15890-15896, 7 p ; ref : 26 ref
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Adsorbant minéral Adsorbat organique Adsorption gaz solide Barrière énergie Chaleur adsorption Etude théorique Face cristalline Interface gaz solide Liaison disponible Méthode fonctionnelle densité Méthode pseudopotentiel Réaction surface Schéma réactionnel Silicium Structure adsorption Styrène Surface énergie potentielle Benzène(éthynyl)
- Keyword (en)
- Inorganic adsorbent Organic adsorbate Gas solid adsorption Energy barrier Heat of adsorption Theoretical study Crystal faces Gas solid interface Dangling bonds Density functional method Pseudopotential methods Surface reactions Reaction path Silicon Adsorption structure Styrene Potential energy surfaces
- Keyword (es)
- Adsorbente inorgánico Adsorbato orgánico Adsorción gas sólido Barrera energía Interfase gas sólido Esquema reacciones Estructura adsorción
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60H Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) / 001B60H45 Solid-fluid interfaces / 001B60H45D Adsorption and desorption kinetics; evaporation and condensation
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01I Surface physical chemistry / 001C01I04 Solid-gas interface
- Discipline
- General chemistry and physical chemistry Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16349894
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/ja046702w 
https://dx.doi.org/10.1021/ja046702w
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