Orbital gap predictions for rational design of organic photovoltaic materials
- Author
- PHILLIPS, Heidi2 ; ZILONG ZHENG1 ; GEVA, Eitan2 ; DUNIETZ, Barry D1
[1] Department of Chemistry, Kent State University, 1175 Risman Drive, Kent, OH 44242, United States
[2] Department of Chemistry, University of Michigan, 930 N. University Ave., Ann Arbor, MI 48109, United States - Source
Organic electronics (Print). 2014, Vol 15, Num 7, pp 1509-1520, 12 p ; ref : 90 ref
- ISSN
- 1566-1199
- Scientific domain
- Electronics; Condensed state physics
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- Density functional theory Electron affinity Fundamental gap Ionization potential Optimally-tuned range separated hybrid functional Organic photovoltaic
- Keyword (fr)
- Affinité électronique Bande interdite Cellule solaire organique Cellule solaire Continuum Couche mince Dispositif photovoltaïque Electronique organique Etat solide Matériau organique Molécule organique Méthode fonctionnelle densité Orbitale frontière Phase gazeuse Potentiel ionisation Prévision Transformation Fourier discrète 7115M 8460J 8535 Dispositif optoélectronique
- Keyword (en)
- Electron affinity Energy gap Organic solar cells Solar cell Continuum Thin film Photovoltaic cell Organic electronics Solid state Organic material Organic molecule Density functional method Frontier orbital Gas phase Ionization potential Forecasting Discrete Fourier transformation Optoelectronic device
- Keyword (es)
- Afinidad electrónica Banda prohibida Célula solar Continuo Capa fina Dispositivo fotovoltaico Electrónica orgánica Estado sólido Material orgánico Molécula orgánica Orbital frontera Fase gaseosa Potencial de ionización Previsión Transformación Fourier discreta Dispositivo optoelectrónico
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A15 Methods of electronic structure calculations
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D03 Electronics / 001D03F Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices / 001D03F15 Optoelectronic devices
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D03 Electronics / 001D03F Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices / 001D03F18 Molecular electronics, nanoelectronics
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D06 Energy / 001D06C Natural energy / 001D06C02 Solar energy / 001D06C02D Photovoltaic conversion / 001D06C02D1 Solar cells. Photoelectrochemical cells
- Discipline
- Electronics Energy Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 28509508
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.orgel.2014.03.040 
https://dx.doi.org/10.1016/j.orgel.2014.03.040
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