Publications - Articles

2013

422.

M. Okube, V. Petrykin, J. E. Mueller, D. Fantauzzi, P. Krtil and T. Jacob, "Topologically Sensitive Surface Segregations of Au-Pd Alloys in Electrocatalytic Hydrogen Evolution", ChemElectroChem, vol. 1, no. 1, pp. 207—212, Dec. 2013. Wiley.

DOI:	10.1002/celc.201300112
File:	https://doi.org/10.1002%2Fcelc.201300112

421.

W. Gao, J. E. Mueller, J. Anton, Q. Jiang and T. Jacob, "Das Wachstum von Nickelclustern an Graphen-Fehlstellen: eine theoretische Studie", Angewandte Chemie, vol. 125, no. 52, pp. 14487—14491, Nov. 2013. Wiley.

DOI:	10.1002/ange.201305001
File:	https://doi.org/10.1002%2Fange.201305001

420.

W. Gao, J. E. Mueller, J. Anton, Q. Jiang and T. Jacob, "Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study", Angewandte Chemie International Edition, vol. 52, no. 52, pp. 14237—14241, Nov. 2013. Wiley.

DOI:	10.1002/anie.201305001
File:	https://doi.org/10.1002%2Fanie.201305001

419.

W. Wei and T. Jacob, "Strong many-body effects in silicene-based structures", Physical Review B, vol. 88, no. 4, pp. 045203, Jul. 2013. American Physical Society (APS).

DOI:	10.1103/physrevb.88.045203
File:	https://doi.org/10.1103%2Fphysrevb.88.045203

418.

W. Wei and T. Jacob, "Electronic and optical properties of fluorinated graphene: A many-body perturbation theory study", Physical Review B, vol. 87, no. 11, pp. 115431, Mar. 2013. American Physical Society (APS).

DOI:	10.1103/physrevb.87.115431
File:	https://doi.org/10.1103%2Fphysrevb.87.115431

417.

R. Verrelli, J. Hassoun, A. Farkas, T. Jacob and B. Scrosati, "A new, high performance CuO/LiNi0.5Mn1.5O4 lithium-ion battery", Journal of Materials Chemistry A, vol. 1, no. 48, pp. 15329, 2013. Royal Society of Chemistry (RSC).

DOI:	10.1039/c3ta13960c
File:	https://doi.org/10.1039%2Fc3ta13960c

416.

T. Jacob, J. Bandlow and A. Comas-Vives, "Ab initio Study of the Electrochemical H2SO4/Pt(111) Interface", Phys. Chem. Chem. Phys., vol. 15, pp. 992 – 997, 2013.

DOI:	10.1039/c2cp43054a
File:	/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0089_Ab_Initio_Study_of_the_Electrochem_H2SO4_PhysChem_2013.pdf

415.

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", Physical Chemistry Chemical Physics, vol. 15, no. 42, pp. 18671, 2013. Royal Society of Chemistry (RSC).

DOI:	10.1039/c3cp53282h
File:	https://doi.org/10.1039%2Fc3cp53282h

414.

D. M. Kolb, J. Zegenhagen, P. Raijput, A. Gupta, B. Detlefs and S. Potdar, "Dealloying of CuxAu studied by hard X-ray photoelectron spectroscopy", J. Electron Spectroscopy and Related Phenomena, vol. 190, pp. 289-294, 2013.

413.

T. Jacob, W. Wei, Y. Dai and B. Huang, "Enhanced Many-Body Effects in 2- and 1-Dimensional ZnO Structures: A Green’s Function Perturbation Theory Study", J. Chem. Phys., vol. 139, no. 14, pp. 144703, 2013. AIP Publishing.

DOI:	10.1063/1.4824078
File:	/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0099_Enhanced_Many_Body_Effects_JChemPhys_2013.pdf

412.

P. Kaghazchi, D. S. Su, R. Schlögl, W. Zheng, T. P. Cotter, B. Frank, K. Schlichte, W. Zhang, F. Schüth and T. Jacob, "Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition", J. Am. Chem. Soc., vol. 135 (9), pp. 3458 – 3464, 2013.

DOI:	https://doi.org/10.1021/ja309734u
File:	/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0093_Molybdenum_Carbide_and_Nitride_JAmChemSoc_2013.pdf

411.

W. Wei, Y. Dai, B. Huang and T. Jacob, "Many-body effects in silicene, silicane, germanene and germanane", Physical Chemistry Chemical Physics, vol. 15, no. 22, pp. 8789, 2013. Royal Society of Chemistry (RSC).

DOI:	10.1039/c3cp51078f
File:	https://doi.org/10.1039%2Fc3cp51078f

410.

M. Landstorfer and T. Jacob, "Mathematical modeling of intercalation batteries at the cell level and beyond", Chemical Society Reviews, vol. 42, no. 8, pp. 3234, 2013. Royal Society of Chemistry (RSC).

DOI:	10.1039/c2cs35050e
File:	https://doi.org/10.1039%2Fc2cs35050e

409.

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.

File:

/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/R4_Mathematical_Modeling_online_version.pdf

408.

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, no. 4, pp. 1113—1121, Jan. 2013. American Chemical Society (ACS).

DOI:	10.1021/la3043878
File:	https://doi.org/10.1021%2Fla3043878

407.

D. M. Kolb, G. Jerkiewicz and C. Köntje, "Roughening and Long-Range Nanopatterning of Au(111) through Potential Cycling in Aqueous Acidic Media", Langmuir, vol. 29, pp. 10272-10278, 2013.

406.

T. Zhu, E. J. M. Hensen, R. A. Santen, N. Tian, S. Sun, P. Kaghazchi and T. Jacob, "Roughening of Pt nanoparticles induced by surface-oxide formation", Physical Chemistry Chemical Physics, vol. 15, no. 7, pp. 2268, 2013. Royal Society of Chemistry (RSC).

DOI:	10.1039/c2cp44252c
File:	https://doi.org/10.1039%2Fc2cp44252c

405.

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, no. 8, pp. 085202, 2013. American Physical Society (APS).

DOI:	10.1103/PhysRevB.87.085202
File:	/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0094_Strong_Excitonic_Effects_PhysRevB_2013.pdf

404.

T. Jacob, J. E. Mueller, H. Hoffmannova, M. Okube, V. Petrykin and P. Krtil, "Surface Stability of Pt3Ni Nanoparticulate Alloy Electrocatalysts in Hydrogen Adsorption", Langmuir, vol. 29, pp. 9046 – 9050, 2013.

DOI:	10.1021/la401562t
File:	/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0097_Surface_Stability_of_Pt3Ni_Langmuir_2013.pdf

403.

P. Kaghazchi, T. Jacob, W. Chen and R. A. Bartynski, "Theoretical and experimental studies of hydrogen adsorption and desorption on Ir surfaces", Physical Chemistry Chemical Physics, vol. 15, no. 31, pp. 12815-12820, 2013. Royal Society of Chemistry (RSC).

DOI:	10.1039/c3cp51769a
File:	https://doi.org/10.1039%2Fc3cp51769a

2012

402.

M. Mesgar, P. Kaghazchi, T. Jacob, H. Ibach, N. B. Luque and W. Schmickler, "Chlorine-Enhanced Surface Mobility of Au(100)", ChemPhysChem, vol. 14, no. 1, pp. 233—236, Oct. 2012. Wiley.

DOI:	10.1002/cphc.201200621
File:	https://doi.org/10.1002%2Fcphc.201200621

401.

W. Wei and T. Jacob, "Strong charge-transfer excitonic effects in C$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:msub$\greater$$łess$mml:mrow /$\greater$$łess$mml:mn$\greater$4$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:math$\greater$H-type hydrogenated graphene", Physical Review B, vol. 86, no. 16, Oct. 2012. American Physical Society (APS).

DOI:	10.1103/physrevb.86.165444
File:	https://doi.org/10.1103%2Fphysrevb.86.165444

400.

M. Metzler, D. Fantauzzi, J. Anton and T. Jacob, "Surface Modification of a $łess$i$\greater$n$łess$/i$\greater$-Si(111) Electrode through Aldehyde Grafting and Subsequent Metallization: Theory and Experiment", Zeitschrift für Physikalische Chemie, vol. 226, no. 9-10, pp. 1039—1048, Sep. 2012. Walter de Gruyter GmbH.

DOI:	10.1524/zpch.2012.0309
File:	https://doi.org/10.1524%2Fzpch.2012.0309

399.

W. Gao, J. E. Mueller, Q. Jiang and T. Jacob, "Die Rolle von koadsorbiertem CO und OH bei der Elektrooxidation von Ameisensäure auf Pt(111)", Angewandte Chemie, vol. 124, no. 37, pp. 9584—9589, Aug. 2012. Wiley.

DOI:	10.1002/ange.201203078
File:	https://doi.org/10.1002%2Fange.201203078

398.

P. Kaghazchi and T. Jacob, "Structure-activity relation of Re nanoparticles", Physical Review B, vol. 86, no. 8, pp. 085434, Aug. 2012. American Physical Society (APS).

DOI:	10.1103/physrevb.86.085434
File:	https://doi.org/10.1103%2Fphysrevb.86.085434