2010
396.
Kaghazchi,
Payam;
Jacob,
Timo
Oxygen-induced reconstruction 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$10$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$0$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$studied by density functional theory
Physical Review B, 81 (7)
February 2010
Publisher: American Physical Society (APS)
Oxygen-induced reconstruction of$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$10$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$0$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$studied by density functional theory
Physical Review B, 81 (7)
February 2010
Publisher: American Physical Society (APS)
| DOI: | 10.1103/physrevb.81.075431 |
| File: | https://doi.org/10.1103%2Fphysrevb.81.075431 |
395.
Keith,
John A.;
Fantauzzi,
Donato;
Jacob,
Timo;
Duin,
Adri C. T.
Reactive forcefield for simulating gold surfaces and nanoparticles
Physical Review B, 81 (23) :235404
June 2010
Publisher: American Physical Society (APS)
Reactive forcefield for simulating gold surfaces and nanoparticles
Physical Review B, 81 (23) :235404
June 2010
Publisher: American Physical Society (APS)
| DOI: | 10.1103/physrevb.81.235404 |
| File: | https://doi.org/10.1103%2Fphysrevb.81.235404 |
394.
Chen,
Wenhua;
Shen,
Quantong;
Bartynski,
Robert A.;
Kaghazchi,
Payam;
Jacob,
Timo
Reduction of NO by CO on Unsupported Ir: Bridging the Materials Gap
ChemPhysChem, 11 (12) :2515—2520
July 2010
Publisher: Wiley
Reduction of NO by CO on Unsupported Ir: Bridging the Materials Gap
ChemPhysChem, 11 (12) :2515—2520
July 2010
Publisher: Wiley
| DOI: | 10.1002/cphc.201000254 |
| File: | https://doi.org/10.1002%2Fcphc.201000254 |
393.
Jacob,
T.;
Schmickler,
W.;
Pötting,
K.
Self-Diffusion on Au(100) - A Density Functional Theory Study
Chem. Phys. Chem. (special issue), 11 :1395-1404
2010
Self-Diffusion on Au(100) - A Density Functional Theory Study
Chem. Phys. Chem. (special issue), 11 :1395-1404
2010
| DOI: | 10.1002/cphc.200900807 |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/CPC_Au_diffusion_2010.pdf |
392.
Pötting,
Kay;
Schmickler,
Wolfgang;
Jacob,
Timo
Self-Diffusion on Au(100): A Density Functional Theory Study
ChemPhysChem, 11 (7) :1395—1404
May 2010
Publisher: Wiley
Self-Diffusion on Au(100): A Density Functional Theory Study
ChemPhysChem, 11 (7) :1395—1404
May 2010
Publisher: Wiley
| DOI: | 10.1002/cphc.200900807 |
| File: | https://doi.org/10.1002%2Fcphc.200900807 |
391.
Gnahm,
M.;
Pajkossy,
T.;
Kolb,
D. M.
The interface between Au(111) and an ionic liquid
Electrochim. Acta, 55 :6212-6217
2010
The interface between Au(111) and an ionic liquid
Electrochim. Acta, 55 :6212-6217
2010
390.
Eberle,
F.;
Kolb,
D. M.;
Kayser,
M.;
Boyen,
H.-G.;
Saitner,
M.;
Mayer,
D.;
Wirth,
A.
The metallization of organic surfaces: Pd on thiazole
Langmuir, 55 :4738-4742
2010
The metallization of organic surfaces: Pd on thiazole
Langmuir, 55 :4738-4742
2010
389.
Gao,
Wang;
Keith,
John A.;
Anton,
Josef;
Jacob,
Timo
Theoretical Elucidation of the Competitive Electro-oxidation Mechanisms of Formic Acid on Pt(111)
Journal of the American Chemical Society, 132 (51) :18377—18385
November 2010
Publisher: American Chemical Society (ACS)
Theoretical Elucidation of the Competitive Electro-oxidation Mechanisms of Formic Acid on Pt(111)
Journal of the American Chemical Society, 132 (51) :18377—18385
November 2010
Publisher: American Chemical Society (ACS)
| DOI: | 10.1021/ja1083317 |
| File: | https://doi.org/10.1021%2Fja1083317 |
388.
Keith,
John A.;
Jerkiewicz,
Gregory;
Jacob,
Timo
Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)
ChemPhysChem, 11 (13) :2779—2794
August 2010
Publisher: Wiley
Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)
ChemPhysChem, 11 (13) :2779—2794
August 2010
Publisher: Wiley
| DOI: | 10.1002/cphc.201000286 |
| File: | https://doi.org/10.1002%2Fcphc.201000286 |
387.
Keith,
J. A.;
Jacob,
T.;
Jerkiewicz,
G.
Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111) Electrodes
Chem. Phys. Chem., 11 :2779-2794
2010
Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111) Electrodes
Chem. Phys. Chem., 11 :2779-2794
2010
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ChemPhysChem_11_2779_2010.pdf |
386.
Pershina,
V.;
Borschevsky,
A.;
Anton,
J.;
Jacob,
T.
Theoretical predictions of trends in spectroscopic properties of gold containing dimers of the 6p and 7p elements and their adsorption on gold
The Journal of Chemical Physics, 133 (10) :104304
September 2010
Publisher: AIP Publishing
Theoretical predictions of trends in spectroscopic properties of gold containing dimers of the 6p and 7p elements and their adsorption on gold
The Journal of Chemical Physics, 133 (10) :104304
September 2010
Publisher: AIP Publishing
| DOI: | 10.1063/1.3476470 |
| File: | https://doi.org/10.1063%2F1.3476470 |
385.
Pershina,
V.;
Borschevsky,
A.;
Anton,
J.;
Jacob,
T.
Theoretical predictions of trends in spectroscopic properties of homonuclear dimers and volatility of the 7p elements
The Journal of Chemical Physics, 132 (19) :194314
May 2010
Publisher: AIP Publishing
Theoretical predictions of trends in spectroscopic properties of homonuclear dimers and volatility of the 7p elements
The Journal of Chemical Physics, 132 (19) :194314
May 2010
Publisher: AIP Publishing
| DOI: | 10.1063/1.3425996 |
| File: | https://doi.org/10.1063%2F1.3425996 |
384.
Jacob,
T.;
Keith,
J. A.
Theoretical Studies of Pd Metal Deposition on the √3×√3 4-Mercaptopyridine Self-Assembled Monolayer
Electrochim. Acta (specia issue), 55 :8258-8262
2010
Theoretical Studies of Pd Metal Deposition on the √3×√3 4-Mercaptopyridine Self-Assembled Monolayer
Electrochim. Acta (specia issue), 55 :8258-8262
2010
| DOI: | 10.1016/j.electacta.2010.04.027 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/EActa_55_8258_2010.pdf |
383.
Keith,
John A.;
Jacob,
Timo
Theoretical studies of Pd metal deposition on the $\sqrt$3\texttimes$\sqrt$3 4-mercaptopyridine self-assembled monolayer
Electrochimica Acta, 55 (27) :8258—8262
November 2010
Publisher: Elsevier BV
Theoretical studies of Pd metal deposition on the $\sqrt$3\texttimes$\sqrt$3 4-mercaptopyridine self-assembled monolayer
Electrochimica Acta, 55 (27) :8258—8262
November 2010
Publisher: Elsevier BV
| DOI: | 10.1016/j.electacta.2010.04.027 |
| File: | https://doi.org/10.1016%2Fj.electacta.2010.04.027 |
382.
Keith,
John A.;
Jacob,
Timo
Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)
Angewandte Chemie International Edition, 49 (49) :9521—9525
October 2010
Publisher: Wiley
Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)
Angewandte Chemie International Edition, 49 (49) :9521—9525
October 2010
Publisher: Wiley
| DOI: | 10.1002/anie.201004794 |
| File: | https://doi.org/10.1002%2Fanie.201004794 |
381.
Jacob,
T.;
Keith,
J. A.
Theoretische Untersuchungen zu potentialabhaengigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)
Angew. Chem., 122 :9711 - 9716
2010
Theoretische Untersuchungen zu potentialabhaengigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)
Angew. Chem., 122 :9711 - 9716
2010
| DOI: | 10.1002/ange.201004794 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChem_122_9711_2010.pdf |
380.
Keith,
John A.;
Jacob,
Timo
Theoretische Untersuchungen zu potentialabhängigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)
Angewandte Chemie, 122 (49) :9711—9716
October 2010
Publisher: Wiley
Theoretische Untersuchungen zu potentialabhängigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)
Angewandte Chemie, 122 (49) :9711—9716
October 2010
Publisher: Wiley
| DOI: | 10.1002/ange.201004794 |
| File: | https://doi.org/10.1002%2Fange.201004794 |
2009
379.
Eberle,
F.;
Boyen,
H.-G.;
Saitner,
M.;
Kucera,
J.;
Groß,
A.;
Romanyuk,
A.;
Oelhafen,
P.;
D'Olieslaeger,
M.;
Manolova,
M.;
Kolb,
D. 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
378.
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 |
377.
Kaghazchi,
P.;
Anton,
J.;
Jacob,
T.
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 |
376.
Chen,
Wenhua;
Stottlemyer,
Alan L.;
Chen,
Jingguang G.;
Kaghazchi,
Payam;
Jacob,
Timo;
Madey,
Theodore E.;
Bartynski,
Robert A.
Adsorption and decomposition of NO on O-covered planar and faceted Ir(2 1 0)
Surface Science, 603 (20) :3136—3144
October 2009
Publisher: Elsevier BV
Adsorption and decomposition of NO on O-covered planar and faceted Ir(2 1 0)
Surface Science, 603 (20) :3136—3144
October 2009
Publisher: Elsevier BV
| DOI: | 10.1016/j.susc.2009.08.027 |
| File: | https://doi.org/10.1016%2Fj.susc.2009.08.027 |
375.
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
374.
Janowska,
Izabela;
Ersen,
Ovidiu;
Jacob,
Timo;
Vennégues,
Philippe;
Bégin,
Dominique;
Ledoux,
Marc-Jacques;
Pham-Huu,
Cuong
Catalytic unzipping of carbon nanotubes to few-layer graphene sheets under microwaves irradiation
Applied Catalysis A: General, 371 (1-2) :22—30
December 2009
Publisher: Elsevier BV
Catalytic unzipping of carbon nanotubes to few-layer graphene sheets under microwaves irradiation
Applied Catalysis A: General, 371 (1-2) :22—30
December 2009
Publisher: Elsevier BV
| DOI: | 10.1016/j.apcata.2009.09.013 |
| File: | https://doi.org/10.1016%2Fj.apcata.2009.09.013 |
373.
Manolova,
M.;
Boyen,
H.-G.;
Romanyuk,
A.;
Oelhafen,
P.;
Ivanova,
V.;
Kolb,
D. M.;
Groß,
A.;
Kucera,
J.
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
372.
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 |