A combined nonequilibrium Green's function/density-functional theory study of electrical conducting properties of artificial DNA duplexes
- Author
- OKAMOTO, Akisumi1 ; MAEDA, Yaku1 ; TSUKAMOTO, Takayuki1 ; ISHIKAWA, Yasuyuki2 ; KURITA, Noriyuki1
[1] Department of Computer Science and Engineering, Toyohashi University of Technology, Tenpaku-cho, Toyohashi, Aichi 441-8580, Japan
[2] Department of Chemistry, University of Puerto Rico, P.O. Box 23346, UPR Station, San Juan, PR 00931-3346, United States - Source
Computational materials science. 2012, Vol 53, pp 416-424, 9 p ; ref : 38 ref
- ISSN
- 0927-0256
- Scientific domain
- Condensed state physics
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- Artificial DNA base DFT DNA duplex Electrical conductivity Green's function theory Ionization energy
- Keyword (fr)
- Caractéristique courant tension Conductivité électrique DNA Endommagement Mobilité trou Méthode fonction Green Méthode fonctionnelle densité Orbitale frontière Phénomène transport Potentiel ionisation
- Keyword (en)
- Voltage current curve Electrical conductivity DNA Damaging Hole mobility Green's function methods Density functional method Frontier orbital Transport process Ionization potential
- Keyword (es)
- Característica corriente tensión Conductividad eléctrica DNA Deterioración Movilidad agujero Orbital frontera Fenómeno transporte Potencial de ionización
- Classification
- Pascal
- 002 Biological and medical sciences / 002A Fundamental and applied biological sciences. Psychology / 002A02 Analytical, structural and metabolic biochemistry / 002A02C Nucleic acids / 002A02C03 Dna, deoxyribonucleoproteins
- Discipline
- Analytical, structural and metabolic biochemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 25935347
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.commatsci.2011.08.022 
https://dx.doi.org/10.1016/j.commatsci.2011.08.022
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