Effect of tube radius on the exohedral chemical functionalization of boron-nitride zigzag nanotubes with NH3
- Author
- ZAHEDI, Ehsan1
[1] Chemistry Department, Shahrood Branch, Islamic Azad University, Shahrood, Iran, Islamic Republic of - Source
Physica. B, Condensed matter. 2012, Vol 407, Num 18, pp 3841-3848, 8 p ; ref : 45 ref
- ISSN
- 0921-4526
- Scientific domain
- Crystallography; Condensed state physics
- Publisher
- Elsevier, Kidlington
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Author keyword
- BNNT BSSE DFT Electronic properties NH3 functionalization
- Keyword (fr)
- Ammoniac Chiralité Densité état électron Liaison covalente Liaison ionique Modification chimique Méthode fonctionnelle densité Nitrure de bore Orbitale frontière Population niveau énergie Site adsorption Structure adsorption Structure électronique Transfert charge BN Nanotube de type zig zag
- Keyword (en)
- Ammonia Chirality Electronic density of states Covalent bonds Ionic bonds Chemical modification Density functional method Boron nitride Frontier orbital Energy level population Adsorption site Adsorption structure Electronic structure Charge transfer Zig zag nanotube
- Keyword (es)
- Modificación química Boro nitruro Orbital frontera Población nivel energía Sitio adsorción Estructura adsorción Transferencia carga
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70C Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures / 001B70C22 Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 26195732
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
10.1016/j.physb.2012.06.002 
https://dx.doi.org/10.1016/j.physb.2012.06.002
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