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The Resource Energy Level Alignment and Electron Transport Through Metal/Organic Contacts : From Interfaces to Molecular Electronics, by Enrique Abad, (electronic resource)

Energy Level Alignment and Electron Transport Through Metal/Organic Contacts : From Interfaces to Molecular Electronics, by Enrique Abad, (electronic resource)

Label
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts : From Interfaces to Molecular Electronics
Title
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts
Title remainder
From Interfaces to Molecular Electronics
Statement of responsibility
by Enrique Abad
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Language
eng
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
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Literary form
non fiction
Series statement
Springer Theses, Recognizing Outstanding Ph.D. Research,
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts : From Interfaces to Molecular Electronics, by Enrique Abad, (electronic resource)
Label
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts : From Interfaces to Molecular Electronics, by Enrique Abad, (electronic resource)
Link
http://libproxy.rpi.edu/login?url=http://dx.doi.org/10.1007/978-3-642-30907-6
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Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
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)
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{'f': 'http://opac.lib.rpi.edu/record=b3388040'}
Extent
XVIII, 198 p.
File format
multiple file formats
Form of item
electronic
Isbn
9783642309076
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other physical details
online resource.
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absent
Reformatting quality
access
Specific material designation
remote

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