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Energy Level Alignment And Electron Transport Through Metal/organic Contacts
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ISBN: 9783642428685

ID: 20488448

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 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. Books, Science and Geography~~Physics~~States of Matter, Energy Level Alignment And Electron Transport Through Metal/organic Contacts~~Book~~9783642428685~~Enrique Abad, , , , , , , , , ,, [PU: Springer, Berlin/Heidelberg/New York, NY]

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Abad, Enrique
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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - neues Buch

ISBN: 9783642428685

ID: 994424

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. Technology Technology eBook, Springer

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Enrique Abad
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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Taschenbuch

2014

ISBN: 9783642428685

ID: 31005467

From Interfaces to Molecular Electronics, [ED: 2013], Softcover, Buch, [PU: Springer Berlin]

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Enrique Abad
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(*)
Enrique Abad:
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Taschenbuch

2014, ISBN: 9783642428685

ID: 31005467

From Interfaces to Molecular Electronics, 2013, Softcover, Buch, [PU: Springer Berlin]

Neues Buch Lehmanns.de
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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts
Autor:

Enrique Abad

Titel:

Energy Level Alignment and Electron Transport Through Metal/Organic Contacts

ISBN-Nummer:

9783642428685

Detailangaben zum Buch - Energy Level Alignment and Electron Transport Through Metal/Organic Contacts


EAN (ISBN-13): 9783642428685
Taschenbuch
Erscheinungsjahr: 2014
Herausgeber: Springer Berlin

Buch in der Datenbank seit 07.01.2015 23:22:18
Buch zuletzt gefunden am 13.12.2016 20:45:43
ISBN/EAN: 9783642428685

ISBN - alternative Schreibweisen:
978-3-642-42868-5

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