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Seminars and workshops of department 26

Seminář / Tuesday, 25.06.2019 10:00

Ferrocene is a well-known organometallic 'sandwich' compound made of one iron atom between two cyclopentadiene (Cp) rings. Inspired by recent experimental scanning tunneling microscope break junction measurements, I will present the results of an extensive computational study of transport properties of ferrocene and ferrocene-based molecular junctions. Using density functional theory and non-equilibrium Green's function formalism, I show that the transmission function presents a combination of sharp Fano-type resonances as well as anti-resonances close to Fermi energy. The anti-resonances...

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