Publications of Erik R. McNellis

McNellis, E. R.; Mercurio, G.; Hagen, S.; Leyssner, F.; Meyer, J.; Soubatch, S.; Wolf, M.; Reuter, K.; Tegeder, P.; Tautz, F. S.: Bulky spacer groups – A valid strategy to control the coupling of functional molecules to surfaces? Chemical Physics Letters 499 (4-6), pp. 247 - 249 (2010)

McNellis, E. R.; Bronner, C.; Meyer, J.; Weinelt, M.; Tegeder, P.; Reuter, K.: Azobenzene versus 3,3,5,5-tetra-tert-butyl-azobenzene (TBA) at Au(111): characterizing the role of spacer groups. Physical Chemistry Chemical Physics 12, pp. 6404 - 6412 (2010)

Gahl, C.; Schmidt, R.; Brete, D.; McNellis, E. R.; Freyer, W.; Carley, R.; Reuter, K.; Weinelt, M.: Structure and excitonic coupling in self-assembled monolayers of azobenzene-functionalized alkanethiols. Journal of the American Chemical Society 132 (6), pp. 1831 - 1838 (2010)

Mercurio, G.; McNellis, E. R.; Martin, I.; Hagen, S.; Leyssner, F.; Soubatch, S.; Meyer, J.; Wolf, M.; Tegeder, P.; Tautz, F. S. et al.; Reuter, K.: Structure and energetics of azobenzene at Ag(111): Benchmarking semiempirical dispersion correction approaches. Physical Review Letters 104 (03), 036102 (2010)

McNellis, E. R.; Meyer, J.; Reuter, K.: Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions. Physical Review B 80 (20), 205414 (2009)

McNellis, E.; Meyer, J.; Baghi, A. D.; Reuter, K.: Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene at Cu(111), Ag(111), and Au(111). Physical Review B 80 (3), pp. 035414-1 - 035414-10 (2009)

Schmidt, R.; McNellis, E.; Freyer, W.; Brete, D.; Gießel, T.; Gahl, C.; Reuter, K.; Weinelt, M.: Azobenzene-functionalized alkanethiols in self-assembled monolayers on gold. Applied Physics A 93 (2), pp. 267 - 275 (2008)

McNellis, E. R.: First-principles modeling of molecular switches at surfaces. Dissertation, Freie Universität, Berlin (2010)