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Czasopismo
2009 | 7 | 2 | 332-339
Tytuł artykułu

A first-principles study of π-conjugated thiol phenothiazine derivatives adsorbed on Au(111) surface

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
We present an extensive theoretical study of a series of phenothiazine derivatives adsorbed on Au(111). A series of experimentally accessible quantities are calculated (ultra-violet photoemission spectra, scanning tunneling microscopy images). All simulations were performed by using DFT techniques and LCAO expansion of the molecular orbitals. The microscopic picture established in this work provides a deeper understanding of the interfacial processes that govern the working principle of single-molecule electronics and organic electronic devices.
Wydawca

Czasopismo
Rocznik
Tom
7
Numer
2
Strony
332-339
Opis fizyczny
Daty
wydano
2009-06-01
online
2009-04-26
Twórcy
  • National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath St., 400293, Cluj-Napoca, Romania
autor
  • National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath St., 400293, Cluj-Napoca, Romania
autor
  • National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath St., 400293, Cluj-Napoca, Romania, iturcu@itim-cj.ro
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-008-0128-8
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