A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster
- Author
- AZPIROZ, Jon M1 ; MATXAIN, Jon M1 ; INFANTE, Ivan1 ; LOPEZ, Xabier1 ; UGALDE, Jesus M1
[1] Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center (DIPC), P.K. 1072 Donostia Euskadi, Spain - Source
PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 26, pp 10996-11005, 10 p ; ref : 73 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Absorption Alkylamine Amine Aniline Composé de métal de transition Conduction Décomposition Energie Fonctionnelle densité Fullerènes Isomère Modélisation Méthode fonctionnelle densité Méthylamine Nanoamas Nanostructure Optoélectronique Orbitale moléculaire Piège Pyridine Semiconducteur Structure Valence Nanoagrégat Cycle 6 chaînons Hétérocycle azote
- Keyword (en)
- Absorption Alkylamine Amines Aniline Transition element compounds Conduction Decomposition Energy Density functional Fullerenes Isomers Modelling Density functional method Methylamine Nanocluster Nanostructures Optoelectronics Molecular orbital Traps Pyridine Semiconductor materials Structure Valence Nanocluster Six membered ring Nitrogen heterocycle
- Keyword (es)
- Alquilamina Conducción Funciónal densidad Nanomontón Optoelectrónica Orbital molecular Estructura Ciclo 6 eslabones Heterociclo nitrógeno
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B80 Cross-disciplinary physics: materials science; rheology / 001B80A Materials science / 001B80A05 Specific materials / 001B80A05T Fullerenes and related materials; diamonds, graphite
- Discipline
- Physics and materials science
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27465598
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
10.1039/c3cp51687c 
https://dx.doi.org/10.1039/c3cp51687c
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