Institute of Electrochemistry

2014

489.
Fantauzzi, D.; Bandlow, J.; Sabo, L.; Jacob, T.; Mueller, J. E.; van Duin, A.C.T.
Development of a ReaxFF potential for Pt–O systems describing the energetics and dynamics of Pt-oxide formation
Physical Chemistry Chemical Physics, 16 :23118-23133
September 2014
Publisher: Royal Society of Chemistry
DOI:10.1039/c4cp03111c
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0120_Dev_of_a_ReaxFF_Pot_for_Pt-O_Syst_Descr__Energ_and_Dyn_of_Pt-oxide_Formation_Phy_Chem_Chem_Phy_2014.pdf
488.
Jacob, T.; Sabo, L.
Grundlagen Elektrochemischer Grenzschichten,
Bunsen-Magazin, 6 :260—267
June 2014
Publisher: Deutsche Bunsen-Gesellschaft
ISSN: 1611-9479
File:Publications
487.
Jacob, T.; Keith, J. A.
A Guidebook Through the Zoo of First Principles Calculations on Oxygen Reduction
Chem. Rev.
2014
486.
Völker, Edgar; Williams, Federico J.; Jacob, Timo; Schiffrin, David J.
ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
Journal of Alloys and Compounds, 586 :475—478
February 2014
Publisher: Elsevier BV
DOI:10.1016/j.jallcom.2013.10.119
File:https://doi.org/10.1016%2Fj.jallcom.2013.10.119
485.
Jacob, T.; Kibler, L.A.; Mueller, J. E.; Krtil, P.
Bimetallic Alloys in Action: Dynamic Atomistic Motifs for Electrochemistry and Catalysis
Phys. Chem. Chem. Phys., 16 :15029–15042
2014
DOI:10.1039/C4CP01591F
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0114_Bimetallic_Alloys_in_action_PhysChemChemPhys_2014.pdf
484.
Jacob, T.; Anton, J.; Exner, K. S.; Over, H.
Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study – Pourbaix Diagrams
Electrochim. Acta, 120 :460–466
2014
DOI:10.1016/j.electacta.2013.11.027
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0107_Chlorine_Evolution_Electrochimica_Acta_2014.pdf
483.
Exner, K. S.; Anton, Josef; Jacob, Timo; Over, Herbert
Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts
Angew. Chemie (126) :11212 - 11215
2014
Publisher: Wiley-VCH
DOI:10.1002/ange.201406112
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116d_Controlling_Selectivity_Angew_Chem_2014.pdf
482.
Exner, K. S.; Over, H.; Anton, J.; Jacob, T.
Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts
Angew. Chemie Int. Ed. (53) :11032 - 11035
2014
Publisher: Wiley -VCH
DOI:10.1002/anie.201406112
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116e_Controlling_Selectivity_Angew_Chem_2014.pdf
481.
Andriyevsky, Bohdan; Doll, Klaus; Jacob, Timo
Electronic and transport properties of LiCoO$łess$sub$\greater$2$łess$/sub$\greater$
Phys. Chem. Chem. Phys., 16 (42) :23412—23420
2014
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/c4cp03052d
File:https://doi.org/10.1039%2Fc4cp03052d
480.
Dai, Y.; Metzler, M.; Jacob, T.; Kolb, D.M.; Ziener, U.
Fast vs. Slow: Electrolyte and Potential Dependent Adlayer Switching of an Oligopyridine on Au(111)
Electrochimica Acta, 137 :416—422
August 2014
Publisher: Elsevier BV
DOI:10.1016/j.electacta.2014.06.046
File:https://doi.org/10.1016%2Fj.electacta.2014.06.046
479.
Wei, Wei; Jacob, Timo
Many-body effects in semiconducting single-wall silicon nanotubes
Beilstein Journal of Nanotechnology, 5 :19—25
January 2014
Publisher: Beilstein Institut
DOI:10.3762/bjnano.5.2
File:https://doi.org/10.3762%2Fbjnano.5.2
478.
Harms, C.; Adam, M.; Soliman, K. A.; Wilhelm, M.; Kibler, L. A.; Jacob, T.; Grathwohl, G.
New Electrocatalysts with Pyrolyzed Siloxane Matrix
Electrocatalysis, 5 (3) :301—309
April 2014
Publisher: Springer Science and Business Media LLC
DOI:10.1007/s12678-014-0190-5
File:https://doi.org/10.1007%2Fs12678-014-0190-5
477.
Jacob, T.; Chen, W.; Kaghazchi, P.; Wang, H.; Bartynski, R. A.
Nitrogen-induced Reconstruction and Faceting of Re(11-21)
J. Chem. Phys., 140 :024707
2014
Publisher: AIP Publishing
DOI:10.1063/1.4861046
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0108_Nitrogen_induced_J_Chem_Phys_2014.pdf
476.
Zhao-Karger, Zhirong; Mueller, Jonathan E.; Zhao, Xiangyu; Fuhr, Olaf; Jacob, Timo; Fichtner, Maximilian
Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries
RSC Adv., 4 (51) :26924—26927
2014
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/c4ra03867c
File:https://doi.org/10.1039%2Fc4ra03867c
475.
Jacob, T.; Kolb, D. M.; Soliman, K. A.; Kibler, L.A.
Restructuring of Ir(210) electrode surface by potential cycling
Beilstein J. Nanotechnol., 5 :1349–1356
2014
DOI:10.3762/bjnano.5.148
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0112_Restructuring_of_an_Ir_Beilstein_2014.pdf
474.
Gao, Wang; Song, Er Hong; Jiang, Qing; Jacob, Timo
Revealing the Active Intermediates in the Oxidation of Formic Acid on Au and Pt(111)
Chemistry - A European Journal, 20 (35) :11005—11012
July 2014
Publisher: Wiley
DOI:10.1002/chem.201402737
File:https://doi.org/10.1002%2Fchem.201402737
473.
Jacob, T.; Müller, M.; Choudhury, S.; Gruber, K.; Cruz, V. B.; Fuchsbichler, B.; Koller, S.; Stamm, M.; Ionov, L.; Beckhoff, B.
Sulfur X-ray absorption fine structure in porous Li-S cathode films measured under argon atmospheric conditions
Spectrochim. Acta Part B, 94–95 :22–26
2014
DOI:10.1016/j.sab.2014.03.001
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0109_Sulfur_X_ray_absorption_J_Spectrochim_ActaPartB_2014.pdf
472.
Bartynski, R. A.; Chen, W.; Jacob, T.; Junno, G.; Kaghazchi, P.; Koel, B. E.; Wang, H.; Yang, X.
Theoretical Study of Carbon Adsorption on Re Surfaces: Morphological Instability
Catal Lett, 144 :1667-1673
2014
Publisher: Springer Science and Business Media
DOI:10.1007/s10562-014-1324-3
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0117_Theor_Stud_of_Carbon_on_RE_Surfaces_Catal_Lett_2014.pdf
471.
Jacob, T.; Fantauzzi, D.; Mueller, J. E.; Okube, M.; Petrykin, V.; Krtil, P.
Topologically sensitive surface segregation of Au-Pd alloys in the electrocatalytic hydrogen evolution
Chem. Electro. Chem. :207 - 212
2014
DOI:10.1002/celc.201300112
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/104_Topologically_sensitive_surface_Chem_Electro_Chem_2014.pdf

2013

470.
Verrelli, Roberta; Hassoun, Jusef; Farkas, Attila; Jacob, Timo; Scrosati, Bruno
A new, high performance CuO/LiNi0.5Mn1.5O4 lithium-ion battery
Journal of Materials Chemistry A, 1 (48) :15329
2013
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/c3ta13960c
File:https://doi.org/10.1039%2Fc3ta13960c
469.
Jacob, T.; Bandlow, J.; Comas-Vives, A.
Ab initio Study of the Electrochemical H2SO4/Pt(111) Interface
Phys. Chem. Chem. Phys., 15 :992 – 997
2013
DOI:10.1039/c2cp43054a
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0089_Ab_Initio_Study_of_the_Electrochem_H2SO4_PhysChem_2013.pdf
468.
Busó-Rogero, C.; Herrero, E.; Bandlow, J.; Comas-Vives, A.; Jacob, Timo
CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment
Physical Chemistry Chemical Physics, 15 (42) :18671
2013
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/c3cp53282h
File:https://doi.org/10.1039%2Fc3cp53282h
467.
Gao, Wang; Mueller, Jonathan E.; Anton, Josef; Jiang, Qing; Jacob, Timo
Das Wachstum von Nickelclustern an Graphen-Fehlstellen: eine theoretische Studie
Angewandte Chemie, 125 (52) :14487—14491
November 2013
Publisher: Wiley
DOI:10.1002/ange.201305001
File:https://doi.org/10.1002%2Fange.201305001
466.
Raijput, P.; Gupta, A.; Detlefs, B.; Kolb, D. M.; Potdar, S.; Zegenhagen, J.
Dealloying of CuxAu studied by hard X-ray photoelectron spectroscopy
J. Electron Spectroscopy and Related Phenomena, 190 :289-294
2013
465.
Wei, Wei; Jacob, Timo
Electronic and optical properties of fluorinated graphene: A many-body perturbation theory study
Physical Review B, 87 (11) :115431
March 2013
Publisher: American Physical Society (APS)
DOI:10.1103/physrevb.87.115431
File:https://doi.org/10.1103%2Fphysrevb.87.115431