Energy Level Alignment and Electron Transport Through Metal Organic Contacts is popular PDF and ePub book, written by Enrique Abad in 2012-09-16, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Energy Level Alignment and Electron Transport Through Metal Organic Contacts can be Read Online from any device for your convenience.
Energy Level Alignment and Electron Transport Through Metal Organic Contacts Book PDF Summary
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.
Detail Book of Energy Level Alignment and Electron Transport Through Metal Organic Contacts PDF
- Author : Enrique Abad
- Release : 16 September 2012
- Publisher : Springer Science & Business Media
- ISBN : 9783642309069
- Genre : Science
- Total Page : 211 pages
- Language : English
- PDF File Size : 12,8 Mb
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