Scientific Publications

Abate, S.; Arrigo, R.; Perathoner, S.; Centi, G.: Role of Feed Composition on the Performances of Pd-Based Catalysts for the Direct Synthesis of H₂O₂. Topics in Catalysis 57 (14-16), pp. 1208 - 1217 (2014)

Abufager, P. N.; Zampieri, G.; Reuter, K.; Martiarena, M. L.; Busnengo, H. F.: Long-Range Periodicity of S/Au(111) Structures at Low and Intermediate Coverages. The Journal of Physical Chemistry C 118 (1), pp. 290 - 297 (2014)

Albareda Piquer, G.; Appel, H.; Franco, I.; Abedi, A.; Rubio, A.: Correlated Electron-Nuclear Dynamics with Conditional Wave Functions. Physical Review Letters 113 (8), 083003 (2014)

Aleksandrov, H. A.; Kozlov, S. M.; Schauermann, S.; Vayssilov, G. N.; Neyman, K. M.: How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals. Angewandte Chemie International Edition 53 (49), pp. 13371 - 13375 (2014)

Aleksandrov, H. A.; Kozlov, S. M.; Schauermann, S.; Vayssilov, G. N.; Neyman, K. M.: How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals. Angewandte Chemie 126 (49), pp. 13589 - 13593 (2014)

Ambrosetti, A.; Dario, A.; DiStasio, R. A.; Tkatchenko, A.: Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems. The Journal of Physical Chemistry Letters 5 (5), pp. 849 - 855 (2014)

Ambrosetti, A.; Reilly, A.; DiStasio, R. A.; Tkatchenko, A.: Long-range correlation energy calculated from coupled atomic response functions. The Journal of Chemical Physics 140 (18), 18A508 (2014)

Arion, T.; Takahashi, O.; Püttner, R.; Ulrich, V.; Barth, S.; Lischke, T.; Bradshaw, A. M.; Förstel, M.; Hergenhahn, U.: Conformational and nuclear dynamics effects in molecular Auger spectra: fluorine core-hole decay in CF₄. Journal of Physics B 47 (12), 124033 (2014)

Armbrüster, M.; Schlögl, R.; Grin, Y.: Intermetallic compounds in heterogeneous catalysis - a quickly developing field. Science and Technology of Advanced Materials 15 (3), 034803 (2014)

Arrigo, R.; Schuster, M. E.; Abate, S.; Wrabetz, S.; Amakawa, K.; Teschner, D.; Freni, M.; Centi, G.; Perathoner, S.; Hävecker, M. et al.; Schlögl, R.: Dynamics of Palladium on Nanocarbon in the Direct Synthesis of H₂O₂. ChemSusChem 7 (1), pp. 179 - 194 (2014)

Asakura, K.; Freund, H.-J.; Fukutani, K.: Special Issue on Surface Science. The Chemical Record 14 (5), pp. 756 - 758 (2014)

Bairamov, F. B.; Poloskin, E. D.; Kornev, A. A.; Chernev, A. L.; Toporov, V. V.; Dubina, M. V.; Röder, C.; Sprung, C.; Lipsanen, H.; Bairamov, B. K.: Resonant raman scattering in complexes of nc-Si/SiO₂ quantum dots and oligonucleotides. Technical Physics Letters 40 (11), pp. 1035 - 1037 (2014)

Barbiellini, B.; Hancock, J. N.; Monney, C.; Joly, Y.; Ghiringhelli, G.; Braicovich, L.; Schmitt, T.: Inelastic x-ray scattering from valence electrons near absorption edges of FeTe and TiSe₂. Physical Review B 89 (23), 235138 (2014)

Bayramov, F. B.; Poloskin, E. D.; Kornev, A. A.; Chernev, A. L.; Toporov, V. V.; Dubina, M. V.; Röder, C.; Sprung, C.; Lipsanen, H.; Bairamov, B. H.: Functionalization of nc-Si/SiO₂ semiconductor quantum dots by oligonucleotides. Semiconductors 48 (11), pp. 1485 - 1489 (2014)

Behafarid, F.; Matos, J.; Hong, S.; Zhang, L.; Rahman, T. S.; Roldan Cuenya, B.: Structural and Electronic Properties of Micellar Au Nanoparticles: Size and Ligand Effects. ACS Nano 8 (7), pp. 6671 - 6681 (2014)

Behafarid, F.; Pandey, S.; Diaz, R. E.; Stach, E. A.; Roldan Cuenya, B.: An in situ transmission electron microscopy study of sintering and redispersion phenomena over size-selected metal nanoparticles: environmental effects. Physical Chemistry Chemical Physics 16 (34), pp. 18176 - 18184 (2014)

Behrens, M.; Lunkenbein, T.; Weihrich, R.: Festkörperchemie 2013. Nachrichten aus der Chemie 62 (3), pp. 251 - 263 (2014)

Beret, E. C.; Wijk, M. v.; Ghiringhelli, L. M.: Reaction cycles and poisoning in catalysis by gold clusters: a thermodynamics approach. International Journal of Quantum Chemistry 114 (1), pp. 57 - 65 (2014)

Berger, D.; Logsdail, A. J.; Oberhofer, H.; Farrow, M. R.; Catlow, C. R. A.; Sherwood, P.; Sokol, A. A.; Blum, V.; Reuter, K.: Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework. The Journal of Chemical Physics 141 (2), 024105 (2014)

Bhattacharya, S.; Levchenko, S. V.; Ghiringhelli, L. M.; Scheffler, M.: Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms. New Journal of Physics 16 (12), 123016 (2014)