«Electron transport trough thiolized gold nanoparticles in single-electron transistor»статья
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Дата последнего поиска статьи во внешних источниках: 24 мая 2016 г.
Аннотация:The analytical parametric model for defining energy spectra of the nanoparticles with a num- ber of atoms up to 3300 was proposed and gave an opportunity to perform Monte-Carlo simula- tion for single-electron transistor (SET) based on golden nanoparticles with size up to 5.2 nm at temperatures from 0.1 K to 300 K. At the first step energy spectra were calculated for isomers of golden nanoparticles, consisting of up to 33 gold atoms using methods of quantum mechan- ics: density functional theory (DFT) with LANL2DZ basis set for ”geometry” optimization; un- restricted Hartree-Fock method (UHF) with SBKJC basis set to evaluate energy parameters of nanoobjects, which include gold atoms with many electrons. It was found that general structure of the energy spectra changes unsignificantly if the number of atoms is greater than 27. Moreover the size of the energy gap and the position of energy levels in it are the linear functions of one parameter – total electrical charge of the nanoparticle. These features of energy spectra allowed us to perform calcultaion of transport charecteristics for a real SET using gold nanoparticle as a central conducting island.