Philomena Schlexer recently received her PhD in Material Science and Nanotechnology as Marie-Curie Fellow in the EU FP7-ITN CATSENSE. She co-authored 11 publications, of which 7 as first author, and is interested in computational catalysis for energy and environmental applications. During her PhD, she performed first-principle calculations investigating the properties and the reactivity of oxide-supported metal clusters and metal-supported oxide ultra-thin films. Philomena enjoys working with experimental groups simulating spectroscopic and microscopic data.
“Modeling of an ultra-thin silicatene/silicon-carbide hybrid film”, P. Schlexer, G. Pacchioni, J. Phys. Condens. Matter, 28 (2016) 364005
“Adsorption and dimerization of late transition metal atoms on the regular and defective quartz (001) surface”, P. Schlexer, G. Pacchioni, Top. Catal., (2016) in press.
“CO adsorption on a silica bilayer supported on Ru(0001)”, P. Schlexer, G. Pacchioni, R. Włodarczyk, J. Sauer, Surf. Sci., 648 (2016), 2-9
“Tuning the Charge State of Ag and Au Atoms and Clusters Deposited on Oxide Surfaces by Doping: A DFT Study of the Adsorption Properties of Nitrogen- and Niobium-Doped TiO2 and ZrO2” P. Schlexer, A. Ruiz Puigdollers, G. Pacchioni, Phys Chem Chem Phys 2015, 17, 22342.
“Gold and Silver Clusters on TiO2 and ZrO2 (101) Surfaces: Role of Dispersion Forces” A. Ruiz Puigdollers, P. Schlexer, G. Pacchioni. J. Phys. Chem. C 2015, 119, 15381.
“Dense or porous packing? Two-dimensional self-assembly of star-shaped mono-, bi-, and terpyridine derivatives”, D. Trawny, P. Schlexer, K. Steenbergen, J. P. Rabe, B. Paulus, H.-U. Reissig, ChemPhysChem, 16 (2015) 949-953
“Characterizing crystalline-vitreous structures: from atomically resolved silica to macroscopic bubble rafts”, K. M. Burson, P. Schlexer, C. Büchner, L. Lichtenstein, M. Heyde, and H.-J. Freund, J. Chem. Educ., 92 (2015) 1896-1902 [Open access]
“Adsorption of Li, Na, K, and Mg atoms on amorphous and crystalline silica bilayers on Ru(0001): A DFT study”, P. Schlexer, L. Giordano, G. Pacchioni, J. Phys. Chem. C, 118 (2014) 15884-15891
“Topological investigation of two-dimensional amorphous materials”, C. Büchner, P. Schlexer, L. Lichtenstein, S. Stuckenholz, M. Heyde, H.-J. Freund, Z. Phys. Chem., 228 (2014) 587-607