2010
401.
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 |
400.
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 |
399.
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 |
398.
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 |
397.
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 |
396.
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 |
395.
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 |
394.
Jacob,
T.;
Keith,
J. A.
Atomic-level elucidation of the initial stages of self-assembled monolayer metallization
Chem. Eur. J. (Very Important Paper), 16 :12381 - 12386
2010
Atomic-level elucidation of the initial stages of self-assembled monolayer metallization
Chem. Eur. J. (Very Important Paper), 16 :12381 - 12386
2010
DOI: | 10.1002/chem.201001396 |
File: |
393.
Kolb,
D. M.;
Schweizer,
M.
Characterization and modification of electrode surfaces by in-situ STM
In M. Bowker and h. Davies, Editor
Page 119-146
Publisher: Wiley-VCH, Weinheim
2010
119-146
Characterization and modification of electrode surfaces by in-situ STM
In M. Bowker and h. Davies, Editor
Page 119-146
Publisher: Wiley-VCH, Weinheim
2010
119-146
392.
Keith,
John A.;
Jacob,
Timo
Computational Simulations on the Oxygen Reduction Reaction in Electrochemical Systems
In P. Balbuena, V. Subramanian, Editor, Modern Aspects of Electrochemistry
Page 89—132
Publisher: Springer New York, Heidelberg, Germany
2010
89—132
Computational Simulations on the Oxygen Reduction Reaction in Electrochemical Systems
In P. Balbuena, V. Subramanian, Editor, Modern Aspects of Electrochemistry
Page 89—132
Publisher: Springer New York, Heidelberg, Germany
2010
89—132
DOI: | 10.1007/978-1-4419-5594-4_3 |
ISBN: | 978-1-4419-5593-7 |
File: | https://doi.org/10.1007%2F978-1-4419-5594-4_3 |
391.
Joshi,
Kaushik;
Duin,
Adri C. T.;
Jacob,
Timo
Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces
Journal of Materials Chemistry, 20 (46) :10431
2010
Publisher: Royal Society of Chemistry (RSC)
Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces
Journal of Materials Chemistry, 20 (46) :10431
2010
Publisher: Royal Society of Chemistry (RSC)
DOI: | 10.1039/c0jm01556c |
File: | https://doi.org/10.1039%2Fc0jm01556c |
390.
Kolb,
D. M.;
Manolova,
M.;
Gajdzik,
J.;
Lenz,
J.;
Natter,
H.;
Kohring,
G.-W.;
Giffhorn,
F.;
Hempelmann,
R.
Enzyme immobilisation on self-organised nanopatterned electrode surfaces
Phys. Chem. Chem. Phys., 12 :12604-12607
2010
Enzyme immobilisation on self-organised nanopatterned electrode surfaces
Phys. Chem. Chem. Phys., 12 :12604-12607
2010
389.
Kolb,
D. M.;
Boyen,
H.-G.;
Metzler,
M.;
Eberle,
F.;
Saitner,
M.;
Wagner,
P.
Metallization of ultra-thin, non-thiol SAMs with flat-lying molecular units: Pd on 1,4-dicyanobenzene
ChemPhysChem., 11 :2114-2117
2010
Metallization of ultra-thin, non-thiol SAMs with flat-lying molecular units: Pd on 1,4-dicyanobenzene
ChemPhysChem., 11 :2114-2117
2010
388.
Kaghazchi,
Payam;
Fantauzzi,
Donato;
Anton,
Josef;
Jacob,
Timo
Nanoscale-faceting of metal surfaces induced by adsorbates
Physical Chemistry Chemical Physics, 12 (31) :8669
2010
Publisher: Royal Society of Chemistry (RSC)
Nanoscale-faceting of metal surfaces induced by adsorbates
Physical Chemistry Chemical Physics, 12 (31) :8669
2010
Publisher: Royal Society of Chemistry (RSC)
DOI: | 10.1039/c000766h |
File: | https://doi.org/10.1039%2Fc000766h |
387.
Jacob,
T.;
Anton,
J.;
Gao,
W.;
Keith,
J. A.
Oxidation of Formic Acid on Pt(111) surface in gas phase
Dalton Trans. (special issue), 39 :8450-8456
2010
Oxidation of Formic Acid on Pt(111) surface in gas phase
Dalton Trans. (special issue), 39 :8450-8456
2010
DOI: | 10.1039/C0DT00404A |
File: |
386.
Jacob,
T.;
Kaghazchi,
P.
Oxygen-Induced Reconstruction of Re(1010) studied by Density Functional Theory
Phys. Rev. B, 81(7) :075431
2010
Oxygen-Induced Reconstruction of Re(1010) studied by Density Functional Theory
Phys. Rev. B, 81(7) :075431
2010
DOI: | 10.1103/physrevb.81.075431 |
File: |
385.
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: |
384.
Kolb,
D. M.;
Pajkossy,
T.;
Gnahm,
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
383.
Kolb,
D. M.;
Boyen,
H.-G.;
Kayser,
M.;
Mayer,
D.;
Wirth,
A.;
Eberle,
F.;
Saitner,
M.
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
382.
Jacob,
T.;
Keith,
J. A.;
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: |
381.
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: |
380.
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: |
2009
379.
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 |
378.
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 |
377.
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
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 |