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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics /
In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this thesis focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces, necessary to tailor devices with good performance. Tra...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2013.
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| Edición: | 1st ed. 2013. |
| Colección: | Springer Theses, Recognizing Outstanding Ph.D. Research,
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| Temas: | |
| Acceso en línea: | Texto Completo |
MARC
| LEADER | 00000nam a22000005i 4500 | ||
|---|---|---|---|
| 001 | 978-3-642-30907-6 | ||
| 003 | DE-He213 | ||
| 005 | 20220116150609.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 120915s2013 gw | s |||| 0|eng d | ||
| 020 | |a 9783642309076 |9 978-3-642-30907-6 | ||
| 024 | 7 | |a 10.1007/978-3-642-30907-6 |2 doi | |
| 050 | 4 | |a QC173.458.S87 | |
| 072 | 7 | |a PHFC |2 bicssc | |
| 072 | 7 | |a SCI077000 |2 bisacsh | |
| 072 | 7 | |a PHFC |2 thema | |
| 082 | 0 | 4 | |a 530.417 |2 23 |
| 100 | 1 | |a Abad, Enrique. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 245 | 1 | 0 | |a Energy Level Alignment and Electron Transport Through Metal/Organic Contacts |h [electronic resource] : |b From Interfaces to Molecular Electronics / |c by Enrique Abad. |
| 250 | |a 1st ed. 2013. | ||
| 264 | 1 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg : |b Imprint: Springer, |c 2013. | |
| 300 | |a XVIII, 198 p. |b online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a text file |b PDF |2 rda | ||
| 490 | 1 | |a Springer Theses, Recognizing Outstanding Ph.D. Research, |x 2190-5061 | |
| 505 | 0 | |a Theoretical Foundation -- Further Developments in IDIS Model -- The IDIS Model at the Molecular Limit -- Results for Various Interfaces: C60, Benzene, TTF, TCNQ and Pentacene Over Au(111). | |
| 520 | |a In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this thesis focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces, necessary to tailor devices with good performance. Traditional methods based on density functional theory (DFT), are not appropriate for analyzing them because they underestimate the organic energy gap and fail to correctly describe the van der Waals forces. Since the size of these systems prohibits the use of more accurate methods, corrections to those DFT drawbacks are desirable. In this work a combination of a standard DFT calculation with the inclusion of the charging energy (U) of the molecule, calculated from first principles, is presented. Regarding the dispersion forces, incorrect long range interaction is substituted by a van der Waals potential. With these corrections, the C60, benzene, pentacene, TTF and TCNQ/Au(111) interfaces are analyzed, both for single molecules and for a monolayer. The results validate the induced density of interface states model. | ||
| 650 | 0 | |a Surfaces (Physics). | |
| 650 | 0 | |a Optical materials. | |
| 650 | 0 | |a Mathematical physics. | |
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Surfaces (Technology). | |
| 650 | 0 | |a Thin films. | |
| 650 | 1 | 4 | |a Surface and Interface and Thin Film. |
| 650 | 2 | 4 | |a Optical Materials. |
| 650 | 2 | 4 | |a Theoretical, Mathematical and Computational Physics. |
| 650 | 2 | 4 | |a Theoretical Chemistry. |
| 650 | 2 | 4 | |a Surfaces, Interfaces and Thin Film. |
| 710 | 2 | |a SpringerLink (Online service) | |
| 773 | 0 | |t Springer Nature eBook | |
| 776 | 0 | 8 | |i Printed edition: |z 9783642428685 |
| 776 | 0 | 8 | |i Printed edition: |z 9783642309083 |
| 776 | 0 | 8 | |i Printed edition: |z 9783642309069 |
| 830 | 0 | |a Springer Theses, Recognizing Outstanding Ph.D. Research, |x 2190-5061 | |
| 856 | 4 | 0 | |u https://doi.uam.elogim.com/10.1007/978-3-642-30907-6 |z Texto Completo |
| 912 | |a ZDB-2-PHA | ||
| 912 | |a ZDB-2-SXP | ||
| 950 | |a Physics and Astronomy (SpringerNature-11651) | ||
| 950 | |a Physics and Astronomy (R0) (SpringerNature-43715) | ||