Noncovalent Functionalization with Alkali Metal to Separate Semiconducting from Metallic Carbon Nanotubes: A Theoretical Study
- Autor
- NANNAN LI1 ; LEE, Geunsik2 ; JAE WON YANG1 ; KIM, Heeyoung3 ; MIN SUN YEOM3 ; SCHEICHER, Ralph H4 ; JAI SAM KIM1 ; KIM, Kwang S1 2
[1] Department of Physics, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea, Republic of
[2] Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea, Republic of
[3] Department of Application and Support, Supercomputing Center, Korea Institute of Science and Technology Information, 245 Daehak-ro, Yuseong-gu, Daejeon, 305-806, Korea, Republic of
[4] Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala, Sweden - Fuente
Journal of physical chemistry. C. 2013, Vol 117, Num 8, pp 4309-4313, 5 p ; ref : 24 ref
- Editor
- American Chemical Society, Columbus, OH
- País de la publicación
- United States
- Tipo de documento
- Article
- Idioma
- English
- Palabra clave (fr)
- Conduction métallique Energie liaison Interaction van der Waals Liaison non covalente Modification chimique Métal alcalin Méthode fonctionnelle densité Nanotube carbone Nanotube monofeuillet Programme VASP Semiconducteur Structure bande Transfert charge
- Palabra clave (in)
- Metallic conduction Binding energy Van der Waals interaction Non covalent binding Chemical modification Alkali metals Density functional method Carbon nanotubes Singlewalled nanotube Vienna ab initio simulation package Semiconductor materials Band structure Charge transfer
- Palabra clave (es)
- Conducción metálica Interacción van der Waals Enlace no covalente Modificación química Programa VASP Transferencia carga
- Clasificación
- 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
- Disciplina
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Procedencia
- Inist-CNRS
- Base de datos
- PASCAL
- Identificador INIST
- 27129838
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/jp3123902 
https://dx.doi.org/10.1021/jp3123902
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