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Chemistry Computational Surface Chemistry – Maurer Group

Publications

No. of Publications: 42

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Interpretation of X-ray Absorption Spectroscopy in the Presence of Surface Hybridisation

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Interpretation of X-ray Absorption Spectroscopy in the Presence of Surface Hybridisation

Katharina Diller, Reinhard J. Maurer, Moritz Müller, Karsten Reuter, J. Chem. Phys. 146, 214701 (2017)

Accurate ab-initio core-level spectroscopy simulations of surface-adsorbed molecules reveal the details of surface hybridization.

Wed 18 Oct 2017, 19:32 | Tags: NEXAFS, Porphine, Near-Edge X-ray Absorption Fine-Structure, hybridization, metal surface, dispersion interactions, X ray photoelectron spectroscopy

Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver

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Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver

K. Diller, F. Klappenberger, F. Allegretti, A. C. Papagergiou, S. Fischer, D. A. Duncan, R. J. Maurer, J. A. Lloyd, S. Cheol Oh, K. Reuter, J. V. Barth, J. Chem. Phys. 141, 144703 (2014)

Using X-ray photoelectron spectroscopy, NEXAFS and Density Functional Theory we show the coverage dependent adlayer structure of porphine films

Fri 13 Oct 2017, 22:19 | Tags: NEXAFS, Porphine, Near-Edge X-ray Absorption Fine-Structure, Density Functional Theory, metal surface, X ray photoelectron spectroscopy

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