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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Enrique Abad
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2012, ISBN: 9783642309069

ID: 217078104

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. Bücher > Fremdsprachige Bücher > Englische Bücher gebundene Ausgabe 16.09.2012 Buch (fremdspr.), Springer, .201

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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: 9783642309069

[ED: Buch], [PU: Springer-Verlag GmbH], Neuware - 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. -, [SC: 0.00], Neuware, gewerbliches Angebot, 244x155x18 mm, [GW: 459g]

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Enrique Abad
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Enrique Abad:
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - neues Buch

ISBN: 9783642309069

[ED: Buch], [PU: Springer-Verlag GmbH], Neuware - 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., [SC: 0.00], Neuware, gewerbliches Angebot, 244x155x18 mm, [GW: 459g]

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Enrique Abad
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Enrique Abad:
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - neues Buch

ISBN: 9783642309069

[ED: Buch], [PU: Springer-Verlag GmbH], Neuware - 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., [SC: 0.00], Neuware, gewerbliches Angebot, FixedPrice, [GW: 459g]

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Enrique Abad
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Enrique Abad:
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - neues Buch

ISBN: 9783642309069

ID: 9783642309069

Physics; Surface and Interface Science, Thin Films; Optical and Electronic Materials; Theoretical, Mathematical and Computational Physics; Theoretical and Computational Chemistry; Surfaces and Interfaces, Thin Films Benzene/Au(111) Interface, C60/Au(111) Interface, DFT-LDA Calculation, Energy Level Alignment, IDIS Model, Induced Density of Interface States, Metal-organic Interfaces, Molecular Electronics, Organic Electronics, Outstanding PhD Thesis, Pentacene/Au(111) Interface, TCNQ/Au(111) Interface Books Book, Springer Science+Business Media

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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. Versandkosten: EUR 0.00
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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:

9783642309069

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


EAN (ISBN-13): 9783642309069
ISBN (ISBN-10): 3642309062
Gebundene Ausgabe
Erscheinungsjahr: 2012
Herausgeber: Springer-Verlag GmbH
198 Seiten
Gewicht: 0,459 kg
Sprache: Englisch

Buch in der Datenbank seit 23.04.2009 18:21:49
Buch zuletzt gefunden am 04.02.2017 12:06:59
ISBN/EAN: 9783642309069

ISBN - alternative Schreibweisen:
3-642-30906-2, 978-3-642-30906-9

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