2009

364.
Pajkossy, T.; Kolb, D. M.
The interfacial capacitance of Rh(111) in HCl solutions
Electrochim. Acta, 54 :3594-3599
2009
363.
Pershina, V.; Anton, J.; Jacob, T.
Theoretical predictions of adsorption behavior of elements 112 and 114 and their homologs Hg and Pb
The Journal of Chemical Physics, 131 (8) :084713
August 2009
Publisher: AIP Publishing
DOI:10.1063/1.3212449
File:https://doi.org/10.1063%2F1.3212449

2008

362.
Jacob, Timo
Ab Initio Atomistic Thermodynamics for Fuel Cell Catalysis
Fuel Cell Catalysis
Page 129—158
Publisher: John Wiley & Sons, Inc.
2008
129—158
DOI:10.1002/9780470463772.ch5
File:https://doi.org/10.1002%2F9780470463772.ch5
361.
Pajkossy, T.; Kolb, D. M.
Anion-adsorption related frequency-dependent double layer capacitance of the platinum group metals in the double layer region
Electrochim. Acta, 53 :7403-7409
2008
360.
Jacob, T.; Kaghazchi, P.; Simeone, F. C.; Soliman, K. A.; Kibler, L.A.
Bridging the Gap between Nanoparticles and Single-Crystal Surfaces
Faraday Diss., 140 :69-80
2008
DOI:10.1039/B802919A
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/FD140_rev.pdf
359.
Jacob, T.; Wiltner, A.; Linsmeier, C.
Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from XPS and DFT analysis
J. Chem. Phys., 129 :084704
2008
DOI:10.1063/1.2971177
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/JCP_129_084704_2008.pdf
358.
Järvi, T. T.; Kuronen, A.; Hakala, M.; Duin, A. C.T.; Goddard, W. A.; Jacob, T.
Development of a ReaxFF description for gold
The European Physical Journal B, 66 (1) :75—79
September 2008
Publisher: Springer Science and Business Media LLC
DOI:10.1140/epjb/e2008-00378-3
File:https://doi.org/10.1140%2Fepjb%2Fe2008-00378-3
357.
Piskunov, Sergei; Heifets, Eugene; Jacob, Timo; Kotomin, Eugene A.; Ellis, Donald E.; Spohr, Eckhard
Electronic structure and thermodynamic stability of LaMnO3 and La_(1-x)Sr_xMnO_3(001) surfaces: Ab initio calculations
Physical Review B, 78 (12)
September 2008
Publisher: American Physical Society (APS)
DOI:10.1103/physrevb.78.121406
File:https://doi.org/10.1103%2Fphysrevb.78.121406
356.
Jacob, T.; Ermanoski, I.; Madey, T.E.; Kaghazchi, P.; Wang, H.
First Principle Studies on Oxygen-Induced Faceting of Ir(210)
ACS Nano, 2 :1280-1288
2008
DOI:10.1021/nn800210v
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ACS_Nano_2_1280_2008.pdf
355.
Venkatachalam, Sudha; Kaghazchi, Payam; Kibler, Ludwig A.; Kolb, Dieter M.; Jacob, Timo
First principles studies of the potential-induced lifting of the Au(100) surface reconstruction
Chemical Physics Letters, 455 (1-3) :47—51
March 2008
Publisher: Elsevier BV
DOI:10.1016/j.cplett.2008.02.058
File:https://doi.org/10.1016%2Fj.cplett.2008.02.058
354.
Kaghazchi, Payam; Jacob, Timo; Ermanoski, Ivan; Chen, Wenhua; Madey, Theodore E.
First-Principles Studies on Oxygen-Induced Faceting of Ir(210)
ACS Nano, 2 (6) :1280—1288
June 2008
Publisher: American Chemical Society (ACS)
DOI:10.1021/nn800210v
File:https://doi.org/10.1021%2Fnn800210v
353.
Pershina, V.; Anton, J.; Jacob, T.
Fully relativistic density-functional-theory calculations of the electronic structures of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mi$\greater$M$łess$/mml:mi$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$O$łess$/mml:mi$\greater$$łess$mml:mn$\greater$4$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$($łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mi$\greater$M$łess$/mml:mi$\greater$$łess$mml:mo$\greater$=$łess$/mml:mo$\greater$$łess$mml:mi mathvariant="normal"$\greater$Ru$łess$/mml:mi$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$, Os, and element 108, Hs) and prediction of physisorption
Physical Review A, 78 (3)
September 2008
Publisher: American Physical Society (APS)
DOI:10.1103/physreva.78.032518
File:https://doi.org/10.1103%2Fphysreva.78.032518
352.
Jacob, T.; Anton, J.; Pershina, V.
Fully-relativistic DFT Calculations of the Electronic Structures of MO4 (M=Ru, Os, and Element 108, Hs) and Prediction of Physisorption
Phys. Rev. A, 78 :032518
2008
DOI:10.1103/PhysRevA.78.032518
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PRA_78_032518_2008.pdf
351.
Renner, F.U.; Stierle, A.; Dosch, H.; Kolb, D. M.; Lee, T.L.; Zegenhagen, J.
In situ x-ray diffraction study of the initial dealloying and passivation of Cu3Au(111) during anodic dissolution
Phys. Rev. B, 77 :235433-235442
2008
350.
Sanz-Navarro, Carlos F.; Åstrand, Per-Olof; Chen, De; Rønning, Magnus; Duin, Adri C. T.; Jacob, Timo; Goddard, William A.
Molecular Dynamics Simulations of the Interactions between Platinum Clusters and Carbon Platelets
The Journal of Physical Chemistry A, 112 (7) :1392—1402
January 2008
Publisher: American Chemical Society (ACS)
DOI:10.1021/jp074806y
File:https://doi.org/10.1021%2Fjp074806y
349.
Madey, Theodore E.; Chen, Wenhua; Wang, Hao; Kaghazchi, Payam; Jacob, Timo
Nanoscale surface chemistry over faceted substrates: structure, reactivity and nanotemplates
Chemical Society Reviews, 37 (10) :2310
2008
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/b719551f
File:https://doi.org/10.1039%2Fb719551f
348.
Manolova, M.; Schweizer, M.; Kolb, D. M.
Potential-induced structure transitions in self-assembled monolayers: II. Propanethiol on Au(100)
Surface Sci., 602 :3303-3307
2008
347.
Lu, Jin-Yong; Keith, John A.; Shen, Wei-Zheng; Schürmann, Markus; Preut, Hans; Jacob, Timo; Arndt, Hans-Dieter
Regioselective De Novo Synthesis of Cyanohydroxypyridines with a Concerted Cycloaddition Mechanism
Journal of the American Chemical Society, 130 (40) :13219—13221
October 2008
Publisher: American Chemical Society (ACS)
DOI:10.1021/ja804078v
File:https://doi.org/10.1021%2Fja804078v
346.
Jacob, T.; Lu, J.-Y.; Shen, W.-Z.; Preut, H.; Arndt, H.-D.; Keith, J. A.; Schürmann, Markus
Regioselective de-novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism
J. Am. Chem. Soc. (Communication), 130(40) :13219-13221
2008
DOI:10.1021/ja804078v
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Cyanohydroxypyridines_submitted.pdf
345.
Chen, Wenhua; Madey, Theodore E.; Stottlemyer, Alan L.; Chen, Jingguang G.; Kaghazchi, Payam; Jacob, Timo
Structure Sensitivity in Adsorption and Decomposition of NO on Ir
The Journal of Physical Chemistry C, 112 (48) :19113—19120
November 2008
Publisher: American Chemical Society (ACS)
DOI:10.1021/jp808143p
File:https://doi.org/10.1021%2Fjp808143p
344.
Su, Dang Sheng; Jacob, Timo; Hansen, Thomas\hspace0.25emW.; Wang, Di; Schlögl, Robert; Freitag, Bert; Kujawa, Stephan
Surface Chemistry of Ag Particles: Identification of Oxide Species by Aberration-Corrected TEM and by DFT Calculations
Angewandte Chemie, 120 (27) :5083—5086
June 2008
Publisher: Wiley
DOI:10.1002/ange.200800406
File:https://doi.org/10.1002%2Fange.200800406
343.
Smetanin, M.; Viswanath, R.N.; Kramer, D.; Beckmann, D.; Koch, T.; Kibler, L.A.; Kolb, D. M.; Weissmüller, J.
Surface stress-charge response of a (111)-textured gold electrode under conditions of weak ion adsorption
Langmuir, 24 :8561-8567
2008
342.
Kolb, D. M.; Wei, Y-M.; Zhou, X-S.; Wang, J-G.; Tang, J.; Mao, B-W.
The creation of nanostructures on a Au(111) electrode by tip-induced iron depositon from an ionic liquid
Small, 9 :1355-1358
2008
341.
Jacob, T.; Piskunov, S.; Spohr, E.; Kotomin, E.A.; Ellis, D.E.; Heifets, E.
The Electronic Structure and Thermodynamic Stability of LaMnO3 and La1-xSrxMnO3 (001) Surfaces: Ab initio Calculations
Phys. Rev. B (Rapid Communication), 121406(R) :78
2008
DOI:10.1103/PhysRevB.78.121406
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_45_2008.pdf
340.
Simeone, Felice C.; Kolb, Dieter M.; Venkatachalam, Sudha; Jacob, Timo
Tunneling behavior of electrified interfaces
Surface Science, 602 (7) :1401—1407
April 2008
Publisher: Elsevier BV
DOI:10.1016/j.susc.2008.01.034
File:https://doi.org/10.1016%2Fj.susc.2008.01.034