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Chemistry Computational Surface Chemistry Group

Publications

No. of Publications: 69

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Interfacial charge rearrangement and intermolecular interactions: Density-functional theory study of free-base porphine adsorbed on Ag(111) and Cu(111)

Interfacial charge rearrangement and intermolecular interactions: Density-functional theory study of free-base porphine adsorbed on Ag(111) and Cu(111)

M. Müller, K. Diller, R. J. Maurer, K. Reuter, J. Chem. Phys., 144, 024701 (2016)

We study the interactions and the self-assembly behaviour of Porphine on Ag(111) and Cu(111). We find significant substrate-mediated, and negligible direct lateral interactions.

Mon 16 Oct 2017, 23:02 | Tags: Porphine, self-assembly, Density Functional Theory, metal surface, dispersion interactions

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