Charge and adsorption height dependence of the self-metalation of porphyrins on ultrathin MgO(001) films

Francesco Presel, Christian S. Kern, Thomas G. Boné, Florian Schwarz, Peter Puschnig, Michael G. Ramsey and Martin Sterrer

Phys. Chem. Chem. Phys., 2022, 24, 28540
DOI: 10.1039/D2CP04688A

Self-metalation of a free-base porphyrin on a metal oxide surface mediated by extended defects: Insight from ab initio molecular dynamics simulations

Osman Barış Malcıoğlu and Michel Bockstedte

Surface Science, 2022, 723, 122101
DOI: 10.1016/j.susc.2022.122101

Adsorption energies of porphyrins on MgO(100): An experimental benchmark for dispersion-corrected density-functional theory

Alexander Wolfram, Quratulain Tariq, Cynthia C. Fernández, Maximilian Muth, Martin Gurrath, Daniel Wechsler, Matthias Franke, Federico J. Williams, Hans-Peter Steinrück, Bernd Meyer and Ole Lytken

Surface Science, 2022, 717, 121979
DOI: 10.1016/j.susc.2021.121979

Using Steric Repulsion to Reduce the Coordination of Metal Centers in Adsorbed Transdibenzoporphyrins

Julien Steffen, Majid Shaker, Maximilian Muth, Simon Steinbach, Pascal Gazetas, Christoph Oleszak, Norbert Jux, Andreas Görling, Hans-Peter Steinrück and Ole Lytken

J. Phys. Chem. C, 2025, 129, 12391
DOI: 10.1021/acs.jpcc.5c01988

Computational study on the adsorption of small molecules to surface-supported Ni-porphyrins

Andreas Windischbacher and Peter Puschnig

Inorganica Chimica Acta, 2023, 558, 121719
DOI: 10.1016/j.ica.2023.121719