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Charge transfer and dipole formation at metal-organic interfaces

Autor: Rusu, Paul Constantin.

Proefschrift Universiteit Twente, Enschede.
Met lit. opg. - Met een samenvatting in het Nederlands.

Externí odkaz: http://doc.utwente.nl/58034

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First-principles study of the dipole layer formation at metal-organic interfaces

Autor: Rusu, Paul C., Giovannetti, Gianluca, Weijtens, Christ, Coehoorn, Reinder, Brocks, Geert

Publikováno v: Phys. Rev. B 81, 125403 (2010)

We study the dipole layer formed at metal-organic interfaces by means of first-principles calculations. Interface dipoles are monitored by calculating the work function change of Au, Ag, Al, Mg and Ca surfaces upon adsorption of a monolayer of PTCDA

Externí odkaz: http://arxiv.org/abs/0908.4539

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Dipole Formation at Interfaces of Alkanethiolate Self-assembled Monolayers and Ag(111)

Autor: Rusu, Paul C., Giovannetti, Gianluca, Brocks, Geert

Publikováno v: J. Phys. Chem. C 111, 14448-14456 (2007)

The formation of interface dipoles in self-assembled monolayers (SAMs) of --CH$_3$ and --CF$_3$ terminated short-chain alkanethiolates on Ag(111) is studied by means of density functional theory calculations. The interface dipoles are characterized b

Externí odkaz: http://arxiv.org/abs/0705.0651

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Work functions of self-assembled monolayers on metal surfaces

Autor: Rusu, Paul C., Brocks, Geert

Publikováno v: Phys. Rev. B 74, 073414 (2006)

Using first-principles calculations we show that the work function of noble metals can be decreased or increased by up to 2 eV upon the adsorption of self-assembled monolayers of organic molecules. We identify the contributions to these changes for s

Externí odkaz: http://arxiv.org/abs/cond-mat/0606663

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