Pregled bibliografske jedinice broj: 146638
Calculation of the electronic transport properties of OPVN molecules coupled to Au(111) surfaces
Calculation of the electronic transport properties of OPVN molecules coupled to Au(111) surfaces // EURESCO Conference on Fundamentals Aspects of Surface Science
Kerkrade, Nizozemska, 2003. (predavanje, međunarodna recenzija, neobjavljeni rad, znanstveni)
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Naslov
Calculation of the electronic transport properties of OPVN molecules coupled to Au(111) surfaces
Autori
Crljen, Željko ; Wendin, Göran ; Grigoriev, Anton ; Stokbro, Kurt
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, znanstveni
Skup
EURESCO Conference on Fundamentals Aspects of Surface Science
Mjesto i datum
Kerkrade, Nizozemska, 04.10.2003. - 09.10.2003
Vrsta sudjelovanja
Predavanje
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
ab initio methods; molecular electronics; non-equilibrium transport
Sažetak
We present the calculations of the electronic structure and transport properties of the model of oligophenylene-vinilene-n molecules in contact with gold electrodes. The transmission spectra and the current-voltage characteristics were obtained using a newly developed method TranSIESTA which makes a full selfconsistent description of the molecule and the electrodes with different electrochemical potentials. The common feature of the zero bias transmission spectra in all the systems considered (n=3, 4, 5) is a broad resonance just below the Fermi level and a number of narrow resonances above 1 eV of the Fermi level. At finite bias the transmission curves show clear differences in the detailed peak structure, reflecting the strongly perturbed levels. We comment on the observed scaling properties of the spectra and the regime of applicability of the coherent transport model.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
POVEZANOST RADA
