Scientific Publications

Abate, S.; Freni, M.; Arrigo, R.; Schuster, M. E.; Perathoner, S.; Centi, G.: On the Nature of Selective Palladium-Based Nanoparticles on Nitrogen-Doped Carbon Nanotubes for the Direct Synthesis of H₂O₂. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 5 (7), pp. 1899 - 1905 (2013)

Agrawal, P.; Tkatchenko, A.; Kronik, L.: Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation 9 (8), pp. 3473 - 3478 (2013)

Ahmadi, M.; Behafarid, F.; Cui, C.; Strasser, P.; Roldan Cuenya, B.: Long-Range Segregation Phenomena in Shape-Selected Bimetallic Nanoparticles: Chemical State Effects. ACS Nano 7 (10), pp. 9195 - 9204 (2013)

Aleksandrov, H. A.; Viñes, F.; Ludwig, W.; Schauermann, S.; Neyman, K. M.: Tuning the Surface Chemistry of Pd by Atomic C and H: A Microscopic Picture. Chemistry-a European Journal 19 (4), pp. 1335 - 1345 (2013)

Amakawa, K.; Kolen’ko, Y. V.; Villa, A.; Schuster, M. E.; Csepei, L.-I.; Weinberg, G.; Wrabetz, S.; d'Alnoncourt, R. N.; Girgsdies, F.; Prati, L. et al.; Schlögl, R.; Trunschke, A.: Multifunctionality of Crystalline MoV(TeNb) M1 Oxide Catalysts in Selective Oxidation of Propane and Benzyl Alcohol. ACS Catalysis 3 (6), pp. 1103 - 1113 (2013)

Amakawa, K.; Sun, L.; Guo, C.; Hävecker, M.; Kube, P.; Wachs, I. E.; Lwin, S.; Frenkel, A. I.; Patlolla, A.; Hermann, K. et al.; Schlögl, R.; Trunschke, A.: How Strain Affects the Reactivity of Surface Metal Oxide Catalysts. Angewandte Chemie International Edition 52 (51), pp. 13553 - 13557 (2013)

Amakawa, K.; Sun, L.; Guo, C.; Hävecker, M.; Kube, P.; Wachs, I. E.; Lwin, S.; Frenkel, A. I.; Patlolla, A.; Hermann, K. et al.; Schlögl, R.; Trunschke, A.: Der Einfluss von strukturellen Spannungen auf die Reaktivität von getragenen Metalloxidkatalysatoren. Angewandte Chemie 125 (51), pp. 13796 - 13800 (2013)

Ambrosetti, A.; Ancilotto, F.; Silvestrelli, P. L.: van der Waals-Corrected Ab Initio Study of Water Ice–Graphite Interaction. The Journal of Physical Chemistry C 117 (1), pp. 321 - 325 (2013)

Armbrüster, M.; Behrens, M.; Engendahl, B.; Oezaslan, M.; Rose, M.; Sprung, C.: German Catalysis, Celebrated in Weimar. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 5 (6), pp. 1297 - 1298 (2013)

Armbrüster, M.; Behrens, M.; Föttinger, K.; Friedrich, M.; Gaudry, É.; Matam, S. K.; Sharma, H. R.: The Intermetallic Compound ZnPd and its Role in Methanol Steam Reforming. Catalysis reviews: science and engineering 55 (3), pp. 289 - 367 (2013)

Arrigo, R.; Hävecker, M.; Schuster, M. E.; Ranjan, C.; Stotz, E.; Knop-Gericke, A.; Schlögl, R.: In Situ Study of the Gas-Phase Electrolysis of Water on Platinum by NAP-XPS. Angewandte Chemie International Edition 52 (44), pp. 11660 - 11664 (2013)

Arrigo, R.; Hävecker, M.; Schuster, M. E.; Ranjan, C.; Stotz, E.; Knop-Gericke, A.; Schlögl, R.: In-situ-Studie der Gasphasen-Wasserelektrolyse auf Platin mittels NAP-XPS. Angewandte Chemie 125 (44), pp. 11874 - 11879 (2013)

Artyushkova, K.; Kiefer, B.; Halevi, B.; Knop-Gericke, A.; Schlögl, R.; Atanassov, P.: Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures. Chemical Communications 49 (25), pp. 2539 - 2541 (2013)

Atalla, V.; Yoon, M.; Caruso, F.; Rinke, P.; Scheffler, M.: Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach. Physical Review B 88 (16), 165122 (2013)

Atsumi, Y.; Hata, S.; Nakao, H.: Phase ordering in coupled noisy bistable systems on scale-free networks. Physical Review E 88 (5), 052806 (2013)

Attaccalite, C.; Wirtz, L.; Marini, A.; Rubio, A.: Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible. Scientific Reports 3, 2698 (2013)

Avigo, I.; Cortés, R.; Rettig, L.; Thirupathaiah, S.; Jeevan, H. S.; Gegenwart, P.; Wolf, T.; Ligges, M.; Wolf, M.; Fink, J. et al.; Bovensiepen, U.: Coherent excitations and electron–phonon coupling in Ba/EuFe₂As₂ compounds investigated by femtosecond time- and angle-resolved photoemission spectroscopy. Journal of Physics: Condensed Matter 25 (9), 094003 (2013)

Badino, M.; Friedrich, B.: Much Polyphony but Little Harmony: Otto Sackur's Groping for a Quantum Theory of Gases. Physics in Perspective 15 (3), pp. 295 - 319 (2013)

Baldauf, C.; Pagel, K.; Warnke, S.; Helden, G. v.; Koksch, B.; Blum, V.; Scheffler, M.: How Cations Change Peptide Structure. Chemistry-a European Journal 19 (34), pp. 11224 - 11234 (2013)

Barbosa, R. L.; Papaefthimiou, V.; Law, Y. T.; Teschner, D.; Hävecker, M.; Knop-Gericke, A.; Zapf, R.; Kolb, G.; Schlögl, R.; Zafeiratos, S.: Methanol Steam Reforming over Indium-Promoted Pt/Al₂O₃ Catalyst: Nature of the Active Surface. The Journal of Physical Chemistry C 117 (12), pp. 6143 - 6150 (2013)