Interface dipoles of Ir(ppy)3 on Cu(111)

Fabian Queck*, Florian Albrecht, Pingo Mutombo, Ondrej Krejci, Pavel Jelínek, Alastair McLean, Jascha Repp

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)


The interplay of adsorption geometry and interface dipoles of the transition-metal complex Ir(ppy)3 on Cu(111) was studied using low-temperature scanning probe microscopy and density-functional-theory calculations. We find that the orientation of the molecule's intrinsic dipole moment with respect to the surface has a strong influence on the total energy of the different configurations, where the most stable one has the molecular dipole moment pointing out of the surface plane along the surface normal. Adsorption-induced redistribution of charges results in an additional dipole moment that also points out of the surface plane for all configurations. Submolecularly resolved maps of the resulting local contact potential difference suggest that any in-plane dipole moment is very effectively screened.

Original languageEnglish
Pages (from-to)12695-12703
Number of pages9
Issue number26
Publication statusPublished - 14 Jul 2019
MoE publication typeA1 Journal article-refereed

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