2014, ISBN: 3642428681

[EAN: 9783642428685], Neubuch, [SC: 0.0], [PU: Springer Berlin Heidelberg], BENZENE/AU(111)INTERFACE; C60/AU(111)INTERFACE; DFT-LDACALCULATION; ENERGYLEVELALIGNMENT; IDISMODEL; INDUCEDDEN… More...

[EAN: 9783642428685], Neubuch, [SC: 0.0], [PU: Springer Berlin Heidelberg], BENZENE/AU(111)INTERFACE; C60/AU(111)INTERFACE; DFT-LDACALCULATION; ENERGYLEVELALIGNMENT; IDISMODEL; INDUCEDDENSITYOFINTERFACESTATES; METAL-ORGANICINTERFACES; MOLECULARELECTRONICS; ORGANICELECTRONICS; OUTSTANDINGPHDTHESIS; PENTACENE/AU(111)INTERFACE; TCNQ/AU(111)INTERFACE, Druck auf Anfrage 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. 216 pp. Englisch, Books<

2015, ISBN: 9783642428685

[ED: Taschenbuch], [PU: Springer Berlin Heidelberg], Neuware - In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work rep… More...

[ED: Taschenbuch], [PU: Springer Berlin Heidelberg], 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.- Besorgungstitel - vorauss. Lieferzeit 3-5 Tage., DE, [SC: 2.20], Neuware, gewerbliches Angebot, 235x155x12 mm, 216, [GW: 335g], Banküberweisung, Offene Rechnung, Kreditkarte, PayPal, Offene Rechnung (Vorkasse vorbehalten), Internationaler Versand<

2014, ISBN: 9783642428685

[ED: Softcover], [PU: Springer / Springer Berlin Heidelberg / Springer, Berlin], In recent years, ever more electronic devices have started to exploit the advantages of organic semiconduc… More...

[ED: Softcover], [PU: Springer / Springer Berlin Heidelberg / Springer, Berlin], 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. 2013. 2014. xviii, 198 S. XVIII, 198 p. 235 mm Versandfertig in 6-10 Tagen, DE, [SC: 0.00], Neuware, gewerbliches Angebot, Offene Rechnung (Vorkasse vorbehalten)<

2014, ISBN: 9783642428685

[ED: Taschenbuch], [PU: Springer-Verlag GmbH], In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this th… More...

[ED: Taschenbuch], [PU: Springer-Verlag GmbH], 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..., DE, [SC: 0.00], Neuware, gewerbliches Angebot, 216, [GW: 335g], 2013, Banküberweisung, PayPal, Klarna-Sofortüberweisung, [CT: Sonstiges / Sonstiges]<

2014, ISBN: 9783642428685

From Interfaces to Molecular Electronics, Buch, Softcover, 2013, [PU: Springer Berlin], Springer Berlin, 2014