Publications of Timo Jacob

Zheng, W.; Cotter, T. P.; Kaghazchi, P.; Jacob, T.; Frank, B.; Schlichte, K.; Zhang, W.; Su, D. S.; Schüth, F.; Schlögl, R.: Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition. Journal of the American Chemical Society 135 (9), pp. 3458 - 3464 (2013)

Chen, W.; Stottlemyer, A. L.; Chen, J. G.; Kaghazchi, P.; Jacob, T.; Madey, T. E.; Bartynski, R. A.: Adsorption and decomposition of NO on O-covered planar and faceted Ir(2 1 0). Surface Science 603 (20), pp. 3136 - 3144 (2009)

Chen, W.; Madey, T. E.; Stottlemyer, A. L.; Chen, J. G.; Kaghazchi, P.; Jacob, T.: Structure sensitivity in adsorption and decomposition of NO on Ir. The Journal of Physical Chemistry C 112 (48), pp. 19113 - 19120 (2008)

Madey, T. E.; Chen, W.; Wang, H.; Kaghazchi, P.; Jacob, T.: Nanoscale surface chemistry over faceted substrates: structure, reactivity and nanotemplates. Chemical Society Reviews 37 (10), pp. 2310 - 2327 (2008)

Wiltner, A.; Linsmeier, C.; Jacob, T.: Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis. The Journal of Chemical Physics 129 (8), 084704 (2008)

Kaghazchi, P.; Jacob, T.; Ermanoski, I.; Chen, W.; Madey, T. E.: First-principles studies on oxygen-induced faceting of Ir(210). ACS Nano 2 (6), pp. 1280 - 1288 (2008)

Venkatachalam, S.; Kaghazchi, P.; Kibler, L. A.; Kolb, D. M.; Jacob, T.: First principles studies of the potential-induced lifting of the Au(100) surface reconstruction. Chemical Physics Letters 455 (1-3), pp. 47 - 51 (2008)

Kaghazchi, P.; Simeone, F. C.; Soliman, K. A.; Kibler, L. A.; Jacob, T.: Bridging the gap between nanoparticles and single crystal surfaces. Faraday Discussions 140, pp. 69 - 80 (2008)

Su, D. S.; Jacob, T.; Hansen, T. W.; Wang, D.; Schlögl, R.; Freitag, B.; Kujawa, S.: Surface Chemistry of Ag Particles: Identification of Oxide Species by Aberration-Corrected TEM and by DFT Calculations. Angewandte Chemie International Edition 47 (27), pp. 5005 - 5008 (2008)

Kaghazchi, P.; Jacob, T.: First-principles studies on clean and oxygen-adsorbed Ir(110) surfaces. Physical Review B 76 (24), 245425 (2007)

Wang, H.; Chan, A. S. Y.; Chen, W.; Kaghazchi, P.; Jacob, T.; Madey, T. E.: Facet stability in oxygen-induced nanofaceting of Re(1231). ACS Nano 1 (5), pp. 449 - 455 (2007)

Simeone, F. C.; Kolb, D. M.; Venkatachalam, S.; Jacob, T.: The Au(111)/Electrolyte Interface: A Tunnel-Spectroscopic and DFT Investigation. Angewandte Chemie International Edition 46 (46), pp. 8903 - 8906 (2007)

Simeone, F. C.; Kolb, D. M.; Venkatachalam, S.; Jacob, T.: Die Au(111)-Elektrolyt-Grenzschicht: eine Tunnelspektroskopie- und DFT-Untersuchung. Angewandte Chemie 119 (46), pp. 9061 - 9064 (2007)

Piskunov, S.; Spohr, E.; Jacob, T.; Kotomin, E. A.; Ellis, D. E.: Electronic and magnetic structure of La_0.875Sr_0.125MnO₃ calculated by means of hybrid density-functional theory. Physical Review B 76 (1), 012410 (2007)

Venkatachalam, S.; Jacob, T.: DFT Studies on the nature of coadsorbates on SO₄^2-/Au(111). Zeitschrift für Physikalische Chemie 221 (9-10), pp. 1393 - 1406 (2007)

Jacob, T.: Theoretical investigations on the potential-induced formation of Pt-oxide surfaces. Journal of Electroanalytical Chemistry 607 (1-2), pp. 158 - 166 (2007)

Vogel, W.; Kaghazchi, P.; Jacob, T.; Alonso-Vante, N.: Genesis of Ru_xSe_y nanoparticles by pyrolysis of Ru₄Se₂(CO)₁₁: A combined X-ray in situ and DFT study. Journal of Physical Chemistry C 111 (10), pp. 3908 - 3913 (2007)

Jacob, T.; Blanco, M.; Goddard III, W. A.: Linking molecular switches to platinum electrodes studied with DFT. Journal of Physical Chemistry C 111 (6), pp. 2749 - 2758 (2007)

Jacob, T.: Potential-induced lifting of the Au(1 0 0)-surface reconstruction studied with DFT. Electrochimica Acta 52 (6), pp. 2229 - 2235 (2007)

Kaghazchi, P.: Adsorbate-induced faceting of transition metal surfaces. Dissertation, Freie Universität Berlin, Berlin (2009)