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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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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts : From Interfaces to Molecular Electronics - encadernado, livro de bolso

2012, ISBN: 3642309062

[EAN: 9783642309069], Neubuch, [SC: 0.0], [PU: Springer-Verlag Gmbh Sep 2012], FESTKÖRPERPHYSIK; PHYSIK / MATHEMATIK; CHEMIE (PHYSIKALISCH); CHEMIE; PHYSIKALISCHE OBERFLÄCHE; MATERIALWISS… mais…

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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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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics - encadernado, livro de bolso

2012, ISBN: 3642309062

2013 Gebundene Ausgabe Optik, Mathematische Physik, Quanten- und theoretische Chemie, Materialwissenschaft, Technische Anwendung von elektronischen, magnetischen, optischen Materialien,… mais…

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Abad, Enrique:
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics - encadernado, livro de bolso

2012

ISBN: 3642309062

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics 2013 - livro usado

2012, ISBN: 9783642309069

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts From Interfaces to Molecular Electronics - livro usado

2012, ISBN: 9783642309069

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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts: From Interfaces To Molecular Electronics
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3642309062


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.

Dados detalhados do livro - Energy Level Alignment and Electron Transport Through Metal/Organic Contacts: From Interfaces To Molecular Electronics


EAN (ISBN-13): 9783642309069
ISBN (ISBN-10): 3642309062
Livro de capa dura
Ano de publicação: 2012
Editor/Editora: Springer Berlin Heidelberg Core >2
198 Páginas
Peso: 0,459 kg
Língua: Englisch

Livro na base de dados desde 2009-04-23T17:21:49+01:00 (Lisbon)
Página de detalhes modificada pela última vez em 2023-11-09T22:06:43+00:00 (Lisbon)
Número ISBN/EAN: 3642309062

Número ISBN - Ortografia alternativa:
3-642-30906-2, 978-3-642-30906-9
Ortografia alternativa e termos de pesquisa relacionados:
Autor do livro: abad
Título do livro: transport transport, contacts getting, men metal, level, electronic contacts, art electronics, enrique, molecular electronics, springer theses, energy

Dados da editora

Autor: Enrique Abad
Título: Springer Theses; Energy Level Alignment and Electron Transport Through Metal/Organic Contacts - From Interfaces to Molecular Electronics
Editora: Springer; Springer Berlin
198 Páginas
Ano de publicação: 2012-09-16
Berlin; Heidelberg; DE
Impresso / Feito em
Língua: Inglês
106,99 € (DE)
109,99 € (AT)
118,00 CHF (CH)
POD
XVIII, 198 p.

BB; Hardcover, Softcover / Physik, Astronomie/Atomphysik, Kernphysik; Physik der kondensierten Materie (Flüssigkeits- und Festkörperphysik); Verstehen; Physik; 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; Surface and Interface and Thin Film; Optical Materials; Theoretical, Mathematical and Computational Physics; Theoretical Chemistry; Surfaces, Interfaces and Thin Film; Technische Anwendung von elektronischen, magnetischen, optischen Materialien; Mathematische Physik; Quanten- und theoretische Chemie; Materialwissenschaft; EA; BC

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).
A new calculational approach to describing metal/organic interfaces A valuable step towards a better understanding of molecular electronics Nominated as an outstanding contribution by the Autonomous University of Madrid Includes supplementary material: sn.pub/extras
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