2013

442.
W. Zheng, T. P. Cotter, P. Kaghazchi, T. Jacob, B. Frank, K. Schlichte, W. Zhang, D. Su, F. Schüth and R. Schlögl, "Molybdenum Carbide and Nitride for Ammonia Decomposition", J. Am. Chem. Soc., vol. 135 (9), pp. 3458 – 3464, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0093_Molybdenum_Carbide_and_Nitride_JAmChemSoc_2013.pdf
441.
"Theoretical Modeling of the Functionalization of Electrode Surfaces with Organic Molecules", Chem. Soc. Rev., 2013.
440.
P. Kaghazchi, T. Jacob, W. Chen and R. A. Bartynski, "Theoretical and experimental studies of hydrogen adsorption and desorption on Ir surfaces", Phys. Chem. Chem. Phys., vol. 15, pp. 12815 – 12820, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0096_Theoretical_and_Experimental_Studies_PhysChem_2013.pdf
439.
H. Hoffmannova, M. Okube, V. Petrykin, P. Krtil, J. E. Mueller and T. Jacob, "Surface Stability of Pt3Ni Nanoparticulate Alloy Electrocatalysts in Hydrogen Adsorption", Langmuir, vol. 29, pp. 9046 – 9050, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0097_Surface_Stability_of_Pt3Ni_Langmuir_2013.pdf
438.
W. Wei and T. Jacob, "Strong Many-Body Effects in Silicene-Based Structures", Phys. Rev. B, vol. 88, pp. 045203, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0098_Strong_Many_Body_Effects_PhysRevB_2013.pdf
437.
W. Wei and T. Jacob, "Strong excitonic effects in the optical properties of graphitic carbon nitride g-C3N4 from first principles", Phys. Rev. B (Editor’s suggestion), vol. 87, pp. 085202, 2013.
DOI:10.1103/PhysRevB.87.085202
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0094_Strong_Excitonic_Effects_PhysRevB_2013.pdf
436.
T. Zhu, E. J. M. Hensen, R. van Santen, N. Tian, S. Sun, P. Kaghazchi and T. Jacob, "Roughening of Pt Nanoparticles Induced by Surface-Oxide Formation", Phys. Chem. Chem. Phys., pp. 2268 – 2272, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0090_Roughening_of_Pt_Nanoparticles_PhysChem_2013.pdf
435.
C. Köntje, D. M. Kolb and G. Jerkiewicz, "Roughening and Long-Range Nanopatterning of Au(111) through Potential Cycling in Aqueous Acidic Media", Langmuir, vol. 29, pp. 10272-10278, 2013.
434.
R. Verrelli, J. Hassoun, A. Farkas, T. Jacob and B. Scrosati, "A new, high performance CuO/LiNi0.5Mn1.5O4 lithium-ion battery", J. Mat. Chem. A, vol. 1, pp. 15329 – 15333, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0102_A_New_High_Performance_JMatChem_2013.pdf
433.
W. Chen, Q. Shen, R. A. Bartynski, P. Kaghazchi and T. Jacob, "Reduction of Nitric Oxide by Acetylene on Ir Surfaces with Different Morphologies: Comparison with Reduction of NO by CO", Langmuir, vol. 29, pp. 1113 – 1121, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0092_Reduction_of_Nitric_Oxide_by_Acetylene_Langmuir_2013.pdf
432.
T. Jacob and M. Landstorfer, "Mathematical Modeling of Intercalation Batteries on Cell Level and Beyond", Chem. Soc. Rev., vol. 42(8), pp. 3234-3252, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/R4_Mathematical_Modeling_online_version.pdf
431.
W. Wei, Y. Dai, B. Huang and T. Jacob, "Many-Body Effects in Silicene, Silicane, Germanene and Germanane", Phys. Chem. Chem. Phys., vol. 15, pp. 8789 – 8794, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0100_Many_Body_Effects_in_Silicene_PhysChem_2013.pdf
430.
W. Wei, Y. Dai, B. Huang and T. Jacob, "Enhanced Many-Body Effects in 2- and 1-Dimensional ZnO Structures: A Green’s Function Perturbation Theory Study", J. Chem. Phys., vol. 139, pp. 144703, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0099_Enhanced_Many_Body_Effects_JChemPhys_2013.pdf
429.
W. Wei and T. Jacob, "Electronic and optical properties of fluorinated graphene: A many-body perturbation theory study", Phys. Rev. B, vol. 87, pp. 115431, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0095_Electronic_and_Optical_Properties_PhysRevB_2013.pdf
428.
P. Raijput, A. Gupta, B. Detlefs, D. M. Kolb, S. Potdar and J. Zegenhagen, "Dealloying of CuxAu studied by hard X-ray photoelectron spectroscopy", J. Electron Spectroscopy and Related Phenomena, vol. 190, pp. 289-294, 2013.
427.
W. Gao, J. E. Mueller, J. Anton, Q. Jiang and T. Jacob, "Das Wachstum von Nickelclustern an Graphen-Fehlstellen: eine theoretische Studie", Angew. Chemie, vol. 125, pp. 14487 - 14491, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0103d_Graphen_Ni_AngewChemie_deutsch_2013.pdf
426.
C. Busó-Rogero, E. Herrero, J. Bandlow, A. Comas-Vives and T. Jacob, "CO Oxidation on Stepped-Pt(111) under Electrochemical Conditions: Insights from Theory and Experiment", Phys. Chem. Chem. Phys., vol. 15, pp. 18671 – 18677, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0101_CO_Oxidation_on_Stepped_Pt_PhysChem_2013.pdf
425.
M. Mesgar, P. Kaghazchi, T. Jacob, E. Pichardo-Pedrero, M. Giesen, H. Ibach, N. B. Luque and W. Schmickler, "Chlorine-enhanced surface mobility of Au(100)", Chem. Phys. Chem., vol. 14, pp. 233 - 236, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0091_Chlorine_Enhanced_Surface_Mob_of_Au_ChemPhysChem_2013.pdf
424.
A. Comas-Vives, J. Bandlow and T. Jacob, "Ab initio Study of the Electrochemical H2SO4/Pt(111) Interface", Phys. Chem. Chem. Phys., vol. 15, pp. 992 – 997, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0089_Ab_Initio_Study_of_the_Electrochem_H2SO4_PhysChem_2013.pdf
423.
W. Gao, J. E. Mueller, J. Anton, Q. Jiang and T. Jacob, "Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study", Angew. Chemie, vol. 52, pp. 14237 - 14241, 2013.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0103e_Graphene_Ni_AngewChemie_engl_2013.pdf

2012

422.
T. Jacob, R. Holze, P. Schunke, P. Neudecker and D. Willbold, "Physikalische Chemie 2011", Nachrichten aus der Chemie, vol. 60 (3), pp. 313 - 322, 2012.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0086_Physikalische_Chemie2011_Nachrichten_aus_der_Chemie_2012.pdf
421.
W. Gao and T. Jacob, "Theoretical Studies on the Electrochemical Oxidation of Formic Acid" in Energy and Environment Series: Catalysts for Alcohol-Fueled Direct Oxidation Fuel Cells, Z. X. Liang, T. S. Zhao, Eds. Cambridge, United Kingdom: Royal Society of Chemistry (RSC), 2012.
ISBN:978-1-84973-405-9
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/B7_FormicAcid_RSC_2012.pdf
420.
W. Gao, J. E. Mueller, Q. Jiang and T. Jacob, "The role of coadsorbed CO and OH in the electrooxidation of formic acid on Pt(111)", Angew. Chem. Int. Ed., vol. 51 (37), pp. 9448–9452, 2012.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0082e_The_Role_of_Coadsorbed_CO_AngwChemIntEd_2012.pdf
419.
D. Fantauzzi, J. Anton, T. Jacob and M. Metzler, "Surface modification of a n-Si(111) electrode through aldehyde grafting and subsequent metallization: theory and experiment", Z. Phys. Chem., vol. 226, pp. 1039–1048, 2012.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0085_Surface_Modification_nSi_ZPhysChem_2012.pdf
418.
P. Kaghazchi and T. Jacob, "Structure-activity relation of Re nanoparticles", Phys. Rev. B, vol. 86 (8), pp. 085434, 2012.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0087_Structure_Activity_Relation_PhysRevB_2012.pdf