2009
376.
Kaghazchi,
Payam;
Jacob,
Timo;
Wang,
Hao;
Chen,
Wenhua;
Madey,
Theodore E.
First-principles studies on adsorbate-induced faceting of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mtext$\greater$Re$łess$/mml:mtext$\greater$$łess$mml:mrow$\greater$$łess$mml:mo$\greater$($łess$/mml:mo$\greater$$łess$mml:mrow$\greater$$łess$mml:mn$\greater$11$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$2$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$
Physical Review B, 79 (13)
April 2009
Publisher: American Physical Society (APS)
First-principles studies on adsorbate-induced faceting of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mtext$\greater$Re$łess$/mml:mtext$\greater$$łess$mml:mrow$\greater$$łess$mml:mo$\greater$($łess$/mml:mo$\greater$$łess$mml:mrow$\greater$$łess$mml:mn$\greater$11$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$2$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$
Physical Review B, 79 (13)
April 2009
Publisher: American Physical Society (APS)
| DOI: | 10.1103/physrevb.79.132107 |
| File: | https://doi.org/10.1103%2Fphysrevb.79.132107 |
375.
Kolb,
D. M.;
Boyen,
H.-G.;
Oelhafen,
P.;
Manolova,
M.;
Romanyuk,
A.;
Kucera,
J.;
Groß,
A.;
Eberle,
F.;
D'Olieslaeger,
M.;
Saitner,
M.
A molecular double decker: Extending the limits of current metal-molecule hybrid structures
Angew. Chem. Int. Ed., 49 :341-345
2009
A molecular double decker: Extending the limits of current metal-molecule hybrid structures
Angew. Chem. Int. Ed., 49 :341-345
2009
374.
Jacob,
T.
Ab-initio Atomistic Thermodynamics for Electrocatalysis
In M.T.M. Koper, A. Wieckowsky (Eds.), Editor, Volume Ab-initio Atomistic Thermodynamics for Electrocatalysis
Page 129–158
Publisher: John Wiley & Sons Inc., New Jersey, USA
2009
129–158
Ab-initio Atomistic Thermodynamics for Electrocatalysis
In M.T.M. Koper, A. Wieckowsky (Eds.), Editor, Volume Ab-initio Atomistic Thermodynamics for Electrocatalysis
Page 129–158
Publisher: John Wiley & Sons Inc., New Jersey, USA
2009
129–158
| ISBN: | 978-0-470-13116-9 |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/B2_AbInitio-Thermo_Wiley_2009.pdf |
373.
Jacob,
T.;
Anton,
J.;
Kaghazchi,
P.
Adsorbate-Induced Faceting of Re(1121)
Bulletin of the Society for Discrete Variational XAlpha, 22(1-2) :(1-2)
2009
Adsorbate-Induced Faceting of Re(1121)
Bulletin of the Society for Discrete Variational XAlpha, 22(1-2) :(1-2)
2009
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Proceedings_DVXalpha_2009.pdf |
372.
Kolb,
D. M.;
Pajkossy,
T.
An impedance study of Ir(210) in HCI solutions
Russian J. of Electrochem., 45 :32-41
2009
An impedance study of Ir(210) in HCI solutions
Russian J. of Electrochem., 45 :32-41
2009
371.
Kolb,
D. M.;
Ivanova,
V.;
Boyen,
H.-G.;
Oelhafen,
P.;
Manolova,
M.;
Romanyuk,
A.;
Kucera,
J.;
Groß,
A.
Chemical interactions at metal/molecule interfaces in molecular junctions: A pathway towards molecular recognition
Adv. Materials, 21 :320-324
2009
Chemical interactions at metal/molecule interfaces in molecular junctions: A pathway towards molecular recognition
Adv. Materials, 21 :320-324
2009
370.
Jacob,
T.
Electrochemical Surface Faceting of Re(1121)
Electrochim. Acta (special issue), 54 :5023-5029
2009
Publisher: Elsevier
Electrochemical Surface Faceting of Re(1121)
Electrochim. Acta (special issue), 54 :5023-5029
2009
Publisher: Elsevier
| DOI: | 10.1016/j.electacta.2009.03.033 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ElectrochimActa_54_5023_2009.pdf |
369.
Jacob,
T.;
Anton,
J.;
Pershina,
V.
Electronic Structures and Properties of MAu and MOH, where M=Tl and Element 113
Chem. Phys. Lett, 480 :157-160
2009
Publisher: Elsevier
Electronic Structures and Properties of MAu and MOH, where M=Tl and Element 113
Chem. Phys. Lett, 480 :157-160
2009
Publisher: Elsevier
| DOI: | 10.1016/j.cplett.2009.08.069 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ChemPhysLett_480_157_2009.pdf |
368.
Kolb,
D. M.;
Kibler,
L.A.;
El-Deab,
M.S.
Enhanced electro-oxidation of formic acid at manganese oxide single crystalline nanorod-modified Pt electrodes
Elechrochem. Comm., 11 :776-778
2009
Enhanced electro-oxidation of formic acid at manganese oxide single crystalline nanorod-modified Pt electrodes
Elechrochem. Comm., 11 :776-778
2009
367.
Jacob,
T.;
Chen,
W.;
Madey,
T.E.;
Kaghazchi,
P.;
Wang,
H.
First Principles Studies on Adsorbate-Induced Faceting of Re(1121)
Phys. Rev. B (Brief Reports), 79 :132107
2009
First Principles Studies on Adsorbate-Induced Faceting of Re(1121)
Phys. Rev. B (Brief Reports), 79 :132107
2009
| DOI: | 10.1103/PhysRevB.79.132107 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_79_132107_2009.pdf |
366.
Venkatachalam,
Sudha;
Jacob,
Timo
Hydrogen adsorption on Pd-containing Au(111) bimetallic surfaces
Physical Chemistry Chemical Physics, 11 (17) :3263
2009
Publisher: Royal Society of Chemistry (RSC)
Hydrogen adsorption on Pd-containing Au(111) bimetallic surfaces
Physical Chemistry Chemical Physics, 11 (17) :3263
2009
Publisher: Royal Society of Chemistry (RSC)
| DOI: | 10.1039/b900250b |
| File: | https://doi.org/10.1039%2Fb900250b |
365.
Jacob,
T.
Mulitskalen-Modellierung (elektro-)katalytischer Reaktionen
Bunsen-Magazin, Deutsche Bunsen-Gesellschaft (DGB), 6
2009
Mulitskalen-Modellierung (elektro-)katalytischer Reaktionen
Bunsen-Magazin, Deutsche Bunsen-Gesellschaft (DGB), 6
2009
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/BunsenMagazin_Aspekte_2009.pdf |
364.
Kolb,
D. M.;
Kibler,
L.A.;
Köntje,
C.
Pd deposition onto Au(111) from nitrate solution
Electrochim. Acta, 54 :3830-3834
2009
Pd deposition onto Au(111) from nitrate solution
Electrochim. Acta, 54 :3830-3834
2009
363.
Kolb,
D. M.;
Pajkossy,
T.
The interfacial capacitance of Rh(111) in HCl solutions
Electrochim. Acta, 54 :3594-3599
2009
The interfacial capacitance of Rh(111) in HCl solutions
Electrochim. Acta, 54 :3594-3599
2009
2008
362.
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)
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 |
361.
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)
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 |
360.
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
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 |
359.
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)
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 |
358.
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$, Os, and element 108, Hs) and prediction of physisorption
Physical Review A, 78 (3)
September 2008
Publisher: American Physical Society (APS)
Fully relativistic density-functional-theory calculations of the electronic structures of$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 |
357.
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)
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 |
356.
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
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 |
355.
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
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 |
354.
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
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 |
353.
Jacob,
Timo
Ab Initio Atomistic Thermodynamics for Fuel Cell Catalysis
Fuel Cell Catalysis
Page 129—158
Publisher: John Wiley & Sons, Inc.
2008
129—158
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 |
352.
Kolb,
D. M.;
Pajkossy,
T.
Anion-adsorption related frequency-dependent double layer capacitance of the platinum group metals in the double layer region
Electrochim. Acta, 53 :7403-7409
2008
Anion-adsorption related frequency-dependent double layer capacitance of the platinum group metals in the double layer region
Electrochim. Acta, 53 :7403-7409
2008