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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - Enrique Abad
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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, From Interfaces to Molecular Electronics - Enrique Abad
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2012, ISBN: 9783642309076

ID: 9200000034314218

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 for..., 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.Taal: Engels; Formaat: ePub met kopieerbeveiliging (DRM) van Adobe; Kopieerrechten: Het kopiëren van (delen van) de pagina's is niet toegestaan ; Geschikt voor: Alle e-readers geschikt voor ebooks in ePub formaat. Tablet of smartphone voorzien van een app zoals de bol.com Kobo app.; Verschijningsdatum: september 2012; ISBN10: 3642309070; ISBN13: 9783642309076; , Engelstalig | Ebook | 2012, Exacte wetenschappen, Natuurkunde, Exacte wetenschappen, Scheikunde, Techniek & Technologie, Werktuigbouwkunde, Exacte wetenschappen, Wiskunde & Statistiek, 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 - neues Buch

9

ISBN: 9783642309076

ID: 203179783642309076

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 for 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. Solid State Physics, Physics, Energy Level Alignment and Electron Transport Through Metal/Organic Contacts~~ Enrique Abad~~Solid State Physics~~Physics~~9783642309076, en, Energy Level Alignment and Electron Transport Through Metal/Organic Contacts, Enrique Abad, 9783642309076, Springer, 09/15/2012, , , , Springer, 09/15/2012

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

ISBN: 9783642309076

ID: 9783642309076

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 eBook, 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:zzgl. Versandkosten
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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:

9783642309076

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 24.12.2016 12:54:21
ISBN/EAN: 9783642309076

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

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