ISBN: 9783642309076

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 ene… mais…

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.; PDF; Scientific, Technical and Medical > Physics > States of matter > Condensed matter physics, Springer Berlin Heidelberg<

2012, ISBN: 9783642309076

Springer, Kindle Edition, Auflage: 2013, 218 Seiten, Publiziert: 2012-09-15T00:00:00.000Z, Produktgruppe: Digital Ebook Purchas, Physical Chemistry, Chemistry, Science, Nature & Maths, Su… mais…

Springer, Kindle Edition, Auflage: 2013, 218 Seiten, Publiziert: 2012-09-15T00:00:00.000Z, Produktgruppe: Digital Ebook Purchas, Physical Chemistry, Chemistry, Science, Nature & Maths, Subjects, Books, Electronics Engineering, Electronics & Communications Engineering, Engineering & Technology, Engineering Physics, Materials Science, Mechanical & Materials Engineering, Mathematical, States of Matter, Popular Science, Scientific, Technical & Medical, Electronics & Telecommunications Engineering, Mechanical & Material Engineering, Physical & Theoretical, Science & Maths, Kindle eBooks, Categories, Kindle Store, Mathematical Physics, Solid-State Physics, Technology & Engineering, Professional & Technical, Format: Kindle eBook, Springer, 2012<

2012, ISBN: 9783642309076

Springer, Kindle Ausgabe, Auflage: 2013, 218 Seiten, Publiziert: 2012-09-15T00:00:00.000Z, Produktgruppe: Digital Ebook Purchas, Chemie, Naturwissenschaften & Technik, Kategorien, Bücher,… mais…

Springer, Kindle Ausgabe, Auflage: 2013, 218 Seiten, Publiziert: 2012-09-15T00:00:00.000Z, Produktgruppe: Digital Ebook Purchas, Chemie, Naturwissenschaften & Technik, Kategorien, Bücher, Elektrotechnik, Ingenieurwissenschaft & Technik, Mathematische Physik, Verschiedenes, Fremdsprachige Bücher, Technologie & Transport, Fremdsprachige eBooks, Kindle eBooks, Kindle-Shop, Wissenschaft & Natur, Physisch & Theoretisch, Fachbücher, Englische eBooks, Nach Sprache, Festkörperphysik, Architektur, Technik & Ingenieurswesen, Format: Kindle eBook, Springer, 2012<

2012, ISBN: 9783642309076

From Interfaces to Molecular Electronics, eBooks, eBook Download (PDF), 2013, [PU: Springer Berlin], Seiten: 198, Springer Berlin, 2012

2012, ISBN: 9783642309076

From Interfaces to Molecular Electronics, eBooks, eBook Download (PDF), 2013, [PU: Springer Berlin], Springer Berlin, 2012