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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 - neues Buch

ISBN: 9783642309076

ID: 9783642309076

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. 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. Energy Level Alignment and Electron Transport Through Metal/Organic Contacts: 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. Induced Density of Interface States Surface and Interface Science, Thin Films Surfaces and Interfaces, Thin Films C DFT-LDA Calculation Benzene/Au(111) Interface Optical and Electronic Materials Metal-organic Interfaces IDIS Model Molecular Elect, 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 - neues Buch

ISBN: 9783642309076

ID: 125878658

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. This book focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces. It presents a combination of a standard DFT calculation with the inclusion of the charging energy (U) of the molecule. eBook eBooks>Fremdsprachige eBooks>Englische eBooks>Sach- & Fachthemen>Chemie, Springer Berlin Heidelberg

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - From Interfaces to Molecular Electronics - Enrique Abad
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Enrique Abad:
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - From Interfaces to Molecular Electronics - neues Buch

ISBN: 9783642309076

ID: 372470

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.[PU:Springer-Verlag], [PU: Springer, Berlin/Heidelberg/New York, NY]

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - From Interfaces to Molecular Electronics - Abad, Enrique
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Abad, Enrique:
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - From Interfaces to Molecular Electronics - neues Buch

2012, ISBN: 3642309070

ID: 9783642309076

In englischer Sprache. Verlag: Springer Berlin, PC-PDF, 198 Seiten, XVII Seiten, 198 Seiten, 1., 2013, [GR: 9646 - Nonbooks, PBS / Physik, Astronomie/Theoretische Physik], [SW: - Mathematische Physik ], [Ausgabe: 1][PU:Springer Berlin], [PU: Springer, Berlin/Heidelberg/New York, NY]

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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 - Erstausgabe

2012, ISBN: 9783642309076

ID: 25431200

From Interfaces to Molecular Electronics, [ED: 1], Auflage, eBook Download (PDF), eBooks, [PU: Springer-Verlag]

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Details zum Buch
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:

3642309070

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


EAN (ISBN-13): 9783642309076
ISBN (ISBN-10): 3642309070
Erscheinungsjahr: 2012
Herausgeber: Springer Berlin
198 Seiten
Sprache: eng/Englisch

Buch in der Datenbank seit 02.01.2012 09:17:04
Buch zuletzt gefunden am 24.06.2016 00:02:16
ISBN/EAN: 3642309070

ISBN - alternative Schreibweisen:
3-642-30907-0, 978-3-642-30907-6

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