Publications of Karsten Reuter

Schott, V., H. Oberhofer, A. Birkner, M. Xu, Y. Wang, M. Muhler, K. Reuter and C. Wöll: Chemische Aktivität von dünnen Oxidschichten: Starke Träger- Wechselwirkungen ergeben eine neue ZnO-Dünnfilmphase. Angewandte Chemie 125 (45), 12143–12147 (2013).

Wang, T., J. Jelic, D. Rosenthal and K. Reuter: Exploring Pretreatment–Morphology Relationships: Ab Initio Wulff Construction for RuO₂ Nanoparticles under Oxidising Condition. ChemCatChem 5 (11), 3398–3403 (2013).

Gopakumar, T.G., T. Davran-Candan, J. Bahrenburg, R.J. Maurer, F. Temps, K. Reuter and R. Berndt: Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie 125 (42), 11213–11216 (2013).

Gopakumar, T.G., T. Davran-Candan, J. Bahrenburg, R.J. Maurer, F. Temps, K. Reuter and R. Berndt: Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie International Edition 52 (42), 11007–11010 (2013).

Palagin, D., T. Teufl and K. Reuter: Multidoping of Si Cages: High Spin States beyond the Single-Dopant Septet Limit. The Journal of Physical Chemistry C 117 (31), 16182–16186 (2013).

Bukas, V.J., J. Meyer, M. Alducin and K. Reuter: Ready, Set and no Action: A Static Perspective on Potential Energy Surfaces commonly used in Gas-Surface Dynamics. Zeitschrift für Physikalische Chemie 227, 1523–1542 (2013).

Mercurio, G., R.J. Maurer, W. Liu, S. Hagen, F. Leyssner, P. Tegeder, J. Meyer, A. Tkatchenko, S. Soubatch, K. Reuter and F.S. Tautz: Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111). Physical Review B 88 (3), 035421 (2013).

Sirtl, T., J. Jelic, J. Meyer, K. Das, W.M. Heckl, W. Moritz, J. Rundgren, M. Schmittel, K. Reuter and M. Lackinger: Adsorption structure determination of a large polyaromatic trithiolate on Cu(111): combination of LEED-I(V) and DFT-vdW. Physical Chemistry Chemical Physics 15 (26), 11054–11060 (2013).

Maurer, R.J. and K. Reuter: Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT). The Journal of Chemical Physics 139 (1), 014708 (2013).

Oberhofer, H. and K. Reuter: First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts. The Journal of Chemical Physics 139 (4), 044710 (2013).

Gahl, C., D. Brete, F. Leyssner, M. Koch, E.R. McNellis, J. Mielke, R. Carley, L. Grill, K. Reuter, P. Tegeder and M. Weinelt: Coverage- and Temperature-Controlled Isomerization of an Imine Derivative on Au(111). Journal of the American Chemical Society 135 (11), 4273–4281 (2013).

Blomberg, S., M.J. Hoffmann, J. Gustafson, N.M. Martin, V.R. Fernandes, A. Borg, Z. Liu, R. Chang, S. Matera, K. Reuter and E. Lundgren: In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap. Physical Review Letters 110 (11), 117601 (2013).

Palagin, D. and K. Reuter: MSi₂₀H₂₀ Aggregates: From Simple Building Blocks to Highly Magnetic Functionalized Materials. ACS Nano 7 (2), 1763–1768 (2013).

Sirtl, T., S. Schlögl, A. Rastgoo-Lahrood, J. Jelic, S. Neogi, M. Schmittel, W.M. Heckl, K. Reuter and M. Lackinger: Control of Intermolecular Bonds by Deposition Rates at Room Temperature: Hydrogen Bonds versus Metal Coordination in Trinitrile Monolayers. Journal of the American Chemical Society 135 (2), 691–695 (2013).

Maurer, R.J. and K. Reuter: Bistability Loss as a Key Feature in Azobenzene (Non-)Switching on Metal Surfaces. Angewandte Chemie 124 (48), 12175–12177 (2012).

Maurer, R.J. and K. Reuter: Bistability Loss as a Key Feature in Azobenzene (Non-)Switching on Metal Surfaces. Angewandte Chemie International Edition 51 (48), 12009–12011 (2012).

Matera, S. and K. Reuter: When atomic-scale resolution is not enough: Spatial effects on in situ model catalyst studies. Journal of Catalysis 295, 261–268 (2012).

Brete, D., D. Przyrembel, C. Eickhoff, R. Carley, W. Freyer, K. Reuter, C. Gahl and M. Weinelt: Mixed self-assembled monolayers of azobenzene photoswitches with trifluoromethyl and cyano end groups. Journal of Physics: Condensed Matter 24 (39), 394015 (2012).

Sabbe, M.K., M.-F. Reyniers and K. Reuter: First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs. Catalysis Science & Technology 2 (10), 2010–2024 (2012).

Palagin, D. and K. Reuter: Evaluation of endohedral doping of hydrogenated Si fullerenes as a route to magnetic Si building blocks. Physical Review B 86 (4), 045416 (2012).