Gold nanoparticle single-electron transistor simulation

Авторы: Gerasimov Y.S., Shorokhov V.V., Soldatov E.S., Snigirev O.V.
Сборник: Proc. SPIE 8700, International Conference Micro- and Nano-Electronics 2012, 870015
Год издания: 2013
DOI: 10.1117/12.2017078
Аннотация: We suggest an approach for determining nanoobjects’ energy spectra depending on its total electric charge. The approach was tested studying golden nanoparticles of different sizes surrounded by ligands of dodecanethiols. Quantum methods of Hartree-Fock and DFT were used to calculate energy spectra and capacitances for such gold nanoparticles consisting of up to 33 atoms of gold. Presence of “extra” levels in energy gap of nanobject’s spectra was revealed. Also dodecanethiol SCH2(CH2)10CH3 ligands influence on the total capacitance and energy spectrum of molecular nanocluster was shown. Finally transport characteristics for gold nanocluster based molecular single-electron transistor (MSET) were calculated using the obtained energy spectra.The simple energy spectra structure model used in the present work may allow single-electron transistor (SET) simulation for larger molecular systems.
Добавил в систему: Шорохов Владислав Владимирович

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