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Energy Level Alignment and Electron Transport Through Metal/Organic Contacts (Record no. 27089)

000 -LEADER
fixed length control field 03082nam a22004935i 4500
003 - CONTROL NUMBER IDENTIFIER
control field OSt
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20140310153037.0
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr nn 008mamaa
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 120915s2013 gw | s |||| 0|eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9783642309076
978-3-642-30907-6
050 #4 - LIBRARY OF CONGRESS CALL NUMBER
Classification number QC176.8.S8
Classification number QC611.6.S9
Classification number QC176.84.S93
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 530.417
Edition number 23
264 #1 -
-- Berlin, Heidelberg :
-- Springer Berlin Heidelberg :
-- Imprint: Springer,
-- 2013.
912 ## -
-- ZDB-2-PHA
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Abad, Enrique.
Relator term author.
245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE
Title Energy Level Alignment and Electron Transport Through Metal/Organic Contacts
Medium [electronic resource] :
Remainder of title From Interfaces to Molecular Electronics /
Statement of responsibility, etc by Enrique Abad.
300 ## - PHYSICAL DESCRIPTION
Extent XVII, 198 p. 89 illus., 12 illus. in color.
Other physical details online resource.
440 1# - SERIES STATEMENT/ADDED ENTRY--TITLE
Title Springer Theses, Recognizing Outstanding Ph.D. Research,
International Standard Serial Number 2190-5053
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note 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).
520 ## - SUMMARY, ETC.
Summary, etc 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.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Physics.
Topical term or geographic name as entry element Chemistry.
Topical term or geographic name as entry element Optical materials.
Topical term or geographic name as entry element Surfaces (Physics).
Topical term or geographic name as entry element Physics.
Topical term or geographic name as entry element Surface and Interface Science, Thin Films.
Topical term or geographic name as entry element Optical and Electronic Materials.
Topical term or geographic name as entry element Theoretical, Mathematical and Computational Physics.
Topical term or geographic name as entry element Theoretical and Computational Chemistry.
Topical term or geographic name as entry element Surfaces and Interfaces, Thin Films.
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element SpringerLink (Online service)
773 0# - HOST ITEM ENTRY
Title Springer eBooks
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Display text Printed edition:
International Standard Book Number 9783642309069
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier http://dx.doi.org/10.1007/978-3-642-30907-6
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Item type E-Book
Copies
Price effective from Permanent location Date last seen Not for loan Date acquired Source of classification or shelving scheme Koha item type Damaged status Lost status Withdrawn status Current location Full call number
2014-04-23AUM Main Library2014-04-23 2014-04-23 E-Book   AUM Main Library530.417
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