Complete List of Publications:
|
84. |
Structure sensitivity of methanol electrooxidation on transition metals,
with P. Ferrin,
Journal of the American Chemical Society, 131, 14381 (2009).
[DOI] |
|
83. |
Improving electrocatalysts for O2 reduction by fine-tuning the Pt-support interaction: Pt monolayer
on the surfaces of a Pd3Fe(111) single-crystal alloy, with W. P. Zhou, X. F. Yang, M. B. Vukmirovic, B. E. Koel, J. Jiao, G. W. Peng,
and R. R. Adzic, Journal of the American Chemical Society, 131, 12755 (2009).
[DOI] |
|
82. |
Weak molecular chemisorption of N2/Pt(111),
with L. W. Bruch, and R. P. Nabar, Journal of Physics: Condensed Matter, 21, 264009 (2009).
[DOI] |
|
81. |
Modeling ethanol decomposition on transition metals: A combined application of scaling and Brønsted-Evans-Polanyi Relations,
with P. Ferrin, D. Simonetti, S. Kandoi, E. Kunkes, J. A. Dumesic, and J. K. Nørskov, Journal of the American Chemical
Society, 131, 5809 (2009).
[DOI] |
|
80. |
Molecular and atomic hydrogen interactions with Au-Ir near-surface alloys,
with P. A. Ferrin, S. Kandoi, J. L. Zhang, and R. Adzic, Journal of Physical Chemistry C, 113, 1411 (2009).
[DOI] |
|
79. |
Correlating STM contrast and atomic-scale structure by chemical modification: Vacancy dislocation loops on FeO/Pt(111),
with L. R. Merte, J. Knudsen, L. C. Grabow, R. T. Vang, E. Laegsgaard, and F. Besenbacher, Surface
Science, 603, L15 (2009).
[DOI] |
|
78. |
Effectiveness of in-situ NH3 annealing treatments for the
removal of oxygen from GaN surfaces, with L. C. Grabow, J. J. Uhlrich, and T. F. Kuech, Surface
Science, 603, 387 (2009).
[DOI] |
|
77. |
Surface segregation energies in low-index open surfaces of bimetallic
transition metal alloys, with A. U. Nilekar, and A. V. Ruban, Surface
Science, 603, 91 (2009).
[DOI] |
|
76. |
Reactivity descriptors for direct methanol fuel cell anode catalysts,
with P. Ferrin, A. U. Nilekar, J. Greeley, and J. Rossmeisl,
Surface Science, 602, 3424 (2008).
[DOI] |
|
75. |
Nanocatalysis Beyond the Gold-Rush Era, with L. C. Grabow,
Angewandte Chemie International Edition, 47(39), 7390 (2008)
[DOI]
Nanokatalyse: Nach dem Goldrausch, Angewandte Chemie, 120(39), 7500 (2008)
[DOI] |
|
74. |
Improved oxygen reduction reactivity of platinum
monolayers on transition metal surfaces, with A.U. Nilekar,
Surface Science Letters, 602, L89-L94 (2008)
[DOI] |
|
73. |
Ru–Pt core–shell nanoparticles for preferential
oxidation of carbon monoxide in hydrogen, with S. Alayoglu,
A.U. Nilekar, and B. Eichhorn,
Nature Materials, 7(4), 333 (2008)
[DOI] |
|
72. |
Molecular-scale Structural Distortion near Vacancies
in Pentacene, with S. Seo, L. C. Grabow, R. J. Hamers, N.
J. Thompson, and P. G. Evans, Applied Physics Letters, 92,
153313 (2008).
[DOI] |
|
71. |
Mechanism of the water gas shift reaction on Pt:
First-principles, experiments, and microkinetic modeling,
with L. C. Grabow, A. A. Gokhale, S. Evans, J. A. Dumesic,
Journal of Physical Chemistry C 112, 4608 (2008).
[DOI] |
|
70. |
Practical Surface Treatments and Surface Chemistry of
n-Type and p-Type GaN, with J.J. Uhlrich, L.C. Grabow, T.F. Kuech,
Journal of Electronic Materials, 37(4), 439 (2008)
[DOI] |
|
69. |
Interaction of carbon dioxide with Cu overlayers on
Pt(111), with N. Schumacher, K. Andersson, L.C. Grabow, J.
Nerlov, I. Chorkendorff, Surface Science, 602, 702 (2008)
[DOI] |
|
68. |
On the Mechanism of Low-Temperature Water Gas
Shift Reaction on Copper, with A. A. Gokhale, J. A.
Dumesic, Journal of American Chemical Society, 130, 1402 (2008)
[DOI] |
|
67. |
Bimetallic and Ternary Alloys for Improved Oxygen
Reduction Catalysis, with A. U. Nilekar, Y. Xu, J. Zhang,
M. B. Vukmirovic, K. Sasaki, R. R. Adzic, Topics In
Catalysis, 46, 276 (2007)
[DOI] |
|
66. |
Platinum Monolayer Fuel Cell Electrocatalysts, with R.
R. Adzic, J. Zhang, K. Sasaki, M. B. Vukmirovic, M. Shao,
J. X. Wang, A. U. Nilekar, J. A. Valerio and F. Uribe,
Topics In Catalysis, 46, 249 (2007)
[DOI] |
|
65. |
Manipulation and patterning of the surface concentration
of hydrogen on Pd(111) by electric fields,
with T. Mitsui, E. Fomin, F. Ogletree, M. Salmeron and
A. U. Nilekar, Angewandte Chemie International Edition,
46, 5757 (2007).
[ DOI ]
|
|
64. |
On the role of subsurface oxygen and ethylenedioxy
in ethylene epoxidation on silver, with J. Greeley,
Journal of Physical Chemistry C, 111, 7992 (2007). [
DOI
]
|
|
63. |
The Effect of Coadsorbed Oxygen on the Adsorption
and Diffusion of Potassium on Rh(110): A First-Principles
Study, with Y. Xu, H. Marbach, R. Imbihl and I. G. Kevrekidis,
Journal of Physical Chemistry C, 111, 7446-7455 (2007).
[
DOI ]
|
|
62. |
A Cu/Pt Near-Surface Alloy for Water-Gas Shift Catalysis,
with J. Knudsen, A. U. Nilekar, R. T. Vang, J. Schnadt,
E. L. Kunkes, J. A. Dumesic, and F. Besenbacher, Journal of the American
Chemical Society, 129, 6485-6490 (2007). [
DOI ]
|
|
61. |
A theoretical comparative study of surfactant effect
of Sb and Bi on GaN growth, with A. A. Gokhale and T.
F. Kuech, Journal of Crystal Growth, 303, 493-499 (2007).
[
DOI ]
|
|
60. |
Platinum monolayer electrocatalysts for oxygen reduction,
with M. B. Vukmirovic, J. Zhang, K. Sasaki, A. U. Nilekar,
F. Uribe and R. R. Adzic, Electrochimica Acta, 52(6),
2257-2263 (2007). [
DOI ]
|
|
59. |
A search engine for catalysts, Nature Materials,
5, 847 (2006). [
DOI ]
|
|
58. |
A simple rule of thumb for diffusion on transition-metal
surfaces, with A. U. Nilekar, and J. Greeley, Angewandte
Chemie International Edition, 45,7046 (2006). [
DOI ]
|
|
57. |
Lattice strain effects on CO oxidation on Pt(111),
with L. Grabow, and Y. Xu, Physical Chemistry Chemical
Physics, 8, 3369 (2006) including cover-page image.
[
DOI ]
|
|
56. |
Prediction of experimental methanol decomposition
rates on platinum from first principles, with S. Kandoi,
J. Greeley, M. A. Sanchez-Castillo, S. T. Evans, A.
A. Gokhale and J. A. Dumesic, Topics in Catalysis, 37(1),
17-28 (2006). [
DOI ]
|
|
55. |
Near-surface alloys for hydrogen fuel cell applications,
with J. Greeley, Catalysis Today, 111, 52-58 (2006).
[
DOI ]
|
|
54. |
Surfactant effect of Sb on GaN growth, with A. A.
Gokhale and T. F. Kuech, Journal of Crystal Growth, 285,
146 (2005). [
DOI ]
|
|
53. |
Effect of Subsurface Oxygen on the Reactivity of
the Ag(111) Surface, with Y. Xu and J. Greeley, Journal
of the American Chemical Society, 127, 12823 (2005).
[
DOI ]
|
|
52. |
Mixed-Metal Pt Monolayer Electrocatalysts for Enhanced
Oxygen Reduction Kinetics, with J. Zhang, M.B. Vukmirovic,
K. Sasaki, A.U. Nilekar, R.R. Adzic, Journal of the
American Chemical Society (Communication), 127, 12480
(2005). [
DOI ]
|
|
51. |
Atomic and molecular adsorption on Pt(1 1 1), with
Denise C. Ford and Ye Xu, Surface Science, 587, 159 (2005).
[
DOI ]
|
| 50. |
Controlling the Catalytic Activity of Platinum
Monolayer Electrocatalysts for Oxygen Reduction with Different
Substrates, with J. Zhang, M.B. Vukmirovic, Y. Xu, R.
R. Adzic, Angewandte Chemie International Edition, 44,
2132 (2005).
[
DOI ]
|
| 49. |
Early Fischer-Tropsch Steps on Fe(110) and
Co(0001) surfaces: Comparative DFT studies , with
A. A. Gokhale, Preprints of Symposia - American Chemical
Society, Division of Fuel Chemistry 50, 149
(2005).
|
| 48. |
Surface and Subsurface Hydrogen: Adsorption
Properties on Transition Metals and Near-Surface Alloys,
with J. Greeley, Journal of Physical Chemistry B, 109 ,
3460 (2005). [
DOI ]
|
| 47. |
Trends in low-temperature water-gas shift
reactivity on transition metals, with N. Schumacher, A.
Boisen, S. Dahl, A. A. Gokhale, S. Kandoi, L. C. Grabow,
J. A. Dumesic, and I. Chorkendorff, Journal of Catalysis,
229, 265 (2005).
[ DOI
]
|
| 46. |
Alloy Catalysts Designed from First-Principles,
with J. Greeley, Nature Materials, 3, 810 (2004).[
DOI ]
|
| 45. |
Molecular-level descriptions
of surface chemistry in kinetic models using density functional
theory, with A. A. Gokhale, S. Kandoi, J. P. Greeley,
J. A. Dumesic, Chemical Engineering Science, 59, 4679
(2004). [
DOI ]
|
| 44. |
Modifications of the electronic structure
of GaSb surface by chalcogen atoms: S, Se, and Te, with
Z. Y. Liu, A. A. Gokhale, D. A. Saulys, T. F. Kuech, Journal
of Applied Physics, 96, 4302 (2004). [
DOI ]
|
| 43. |
Effect of Sn on the Reactivity of Cu Surfaces,
with A. A. Gokhale, G. W. Huber, J. A. Dumesic, Journal
of Physical Chemistry B, 108, 14062 (2004). [
DOI ]
|
| 42. |
Strain-Induced Formation of Subsurface Species
in Transition Metals, with J. Greeley, W. P. Krekelberg,
Angewandte Chemie International Edition, 43, 4296 (2004).
[
DOI ]
|
| 41. |
Adsorption and dissociation of O2
on Pt-Co and Pt-Fe alloys, with Y. Xu, A. Ruban, Journal
of the American Chemical Society, 126, 4717 (2004). [
DOI ]
|
| 40. |
Competitive Paths for Methanol Decomposition
on Pt(111), with J. Greeley, Journal of the American Chemical
Society, 126, 3910 (2004). [
DOI ]
|
| 39. |
On the origin of the catalytic activity
of nanomenter gold particles for low temperature CO oxidation,
with N. Lopez, T. V. W. Janssens, B. S. Clausen, Y. Xu,
T. Bligaard, J. K. Nørskov, Journal of Catalysis
- Priority Communication, 223, 232 (2004). [
DOI ]
|
| 38. |
Why Au and Cu Are More Selective Than Pt
for Preferential Oxidation of CO at Low Temperature with:
S. Kandoi, A. A. Gokhale, L. C. Grabow, and J. A. Dumesic,
Catalysis Letters, 93, 93 (2004).
[ DOI
]
|
| 37. |
Atomic and molecular adsorption on Ir(111),
with: W. Krekelberg, and J. Greeley, Journal of Physical
Chemistry B, 108, 987 (2004). [
DOI ]
|
| 36. |
Adsorption and Dissociation of O2
on Gold surfaces: Effect of Steps and Strain, with: Y.
Xu, Journal of Physical Chemistry B, 107, 9298 (2003).
[
DOI ]
|
| 35. |
A first-principles study of surface and
subsurface hydrogen on and in Ni(111): Diffusional Properties
and Coverage-Dependent behavior, with: J. Greeley, Surface
Science, 540, 215 (2003). [
DOI ]
|
| 34. |
The adsorption and dissociation of O2
molecular precursors on Cu: The effect of Steps, with:
Y. Xu, Surface Science, 538, 219 (2003). [
DOI ]
|
| 33. |
Atomic-Scale Evidence for an Enhanced Catalytic
Reactivity of Stretched Surfaces, with: J. Wintterlin,
T. Zambelli, J. Trost, J. Greeley, Angewandte Chemie International
Edition (frontispiece), 42, 2849-2853 (2003). [
DOI ]
|
| 32. |
DFT studies for cleavage of C-C and C-O
bonds in surface species derived from ethanol on Pt(111),
with: R. Alcalá , and J.A. Dumesic, Journal of
Catalysis, 218, 178 (2003).
[ DOI
]
|
| 31. |
Microcalorimetric, infrared spectroscopic
and DFT studies of CO adsorption on Rh and Rh-Te catalysts,
with: R. He, H. Kusaka, and J.A. Dumesic, Journal of Catalysis,
217, 209 (2003).
[ DOI
]
|
| 30. |
DFT and Experimental Studies of C-C and
C-O Bond Cleavage in Ethanol and Ethylene Glycol on Pt
Catalysts, with R. R. Davda, R. Alcala, J. Shabaker, G.
Huber, R. D. Cortright, and J. A. Dumesic, Studies in
Surface Science and Catalysis, 145, 79 (2003).
[ Book
Series ]
|
| 29. |
CO Vibrational Frequencies on Methanol Synthesis
Catalysts: a DFT study, with: J. Greeley, A. Gokhale,
J. Kreuser, H. Topsoe, N-Y. Topsoe, J. A. Dumesic, Journal
of Catalysis, 213, 63 (2003).[
DOI ]
|
| 28. |
Atomic and Molecular Adsorption on Rh(111),
with: J. Rempel, J. Greeley, L. B. Hansen, and J. K. Nørskov,
The Journal of Chemical Physics, 117, 6737 (2002). [
DOI ]
|
| 27. |
The addition of Sb as a surfactant to GaN
growth by metal organic vapor phase epitaxy, with: L.
Zhang, H. F. Tang, J. Schieke, and T. F. Kuech, Journal
of Applied Physics, 92, 2304 (2002). [
DOI ]
|
| 26. |
Structure sensitivity of CO dissociation
on Rh surfaces, with: M. Baumer, H.-J. Freund, and J. K.
Nørskov, Catalysis Letters, 81, 153 (2002).
[ DOI
]
|
| 25. |
Universality in Heterogeneous Catalysis,
with: J.K. Nørskov, T. Bligaard, A. Logadottir, S. Bahn,
L. B. Hansen, M. Bollinger, H. Bengaard, B. Hammer, Z.
Sljivancanin, Y. Xu, S. Dahl, C. J. H. Jacobsen, Journal
of Catalysis, 209, 275 (2002).
[ DOI
]
|
| 24. |
Influence of Bi impurity as a surfactant
during the growth of GaN by metalorganic vapor phase epitaxy,
with: L. Zhang, H. F. Tang, J. Schieke, and T. F. Kuech,
Journal of Crystal Growth, 242, 302 (2002). [
DOI ]
|
| 23. |
A First-Principles Study of Methanol Decomposition
on Pt(111), with: J. Greeley, Journal of the American
Chemical Society, 124, 7193 (2002). [
DOI ]
|
| 22. |
Adsorption and dissociation of O2
on Ir(111), with: Y. Xu, The Journal of Chemical Physics,
116, 10846 (2002). [
DOI ]
|
| 21. |
Methanol Decomposition on Cu(111): A DFT
Study, with: J. Greeley, Journal of Catalysis, 208, 291
(2002).
[ DOI
]
|
| 20. |
DFT studies of Acetone and Propanal Hydrogenation
on Pt(111), with: R. Alcala, J. Greeley and J. A. Dumesic,
The Journal of Chemical Physics, 116, 8973 (2002). [
DOI ]
|
| 19. |
Electronic Structure and Catalysis on Metal
Surfaces, with: J. Greeley and J. K. Nørskov, Annual Reviews
of Physical Chemistry, 53, 319 (2002). [
DOI ]
|
| 18. |
Adsorption and Dissociation of O2
on Cu(111): Thermochemistry, Reaction Barrier, and the
Effect of Strain, with: Y. Xu, Surface Science, 494, 131
(2001). [
DOI ]
|
| 17. |
DFT Studies of the Adsorption of Ethylene
and Oxygen on Pt(111) and Pt3Sn(111), with:
R. M. Watwe, R. D. Cortright, J. K. Nørskov, and
J. A. Dumesic, The Journal of Chemical Physics, 114, 4663
(2001). [
DOI ]
|
| 16. |
Catalysis from First Principles, with J.
K. Nørskov, Proceedings of the First International
Conference on Foundations of Molecular Modeling and Simulation
(FOMMS 2000), I19-1, (2000).
|
| 15. |
Diffusion of N Adatoms on the Fe(100) Surface,
with: M. Ø. Pedersen, L. Osterlund, J. J. Mortensen,
L. B. Hansen, I. Stensgaard, E. Laegsgaard, J. K. Nørskov,
and F. Besenbacher, Physical Review Letters, 84, 4898 (2000).
[
DOI ]
|
| 14. |
Making Gold less Noble, with: P. Stoltze
and J. K. Nørskov, Catalysis Letters, 64, 101 (2000).
[
DOI ]
|
| 13. |
Stabilities of Substituted Oxametallacycle
Intermediates: Implications for Regioselectivity of Epoxide
Ring Opening and Olefin Epoxidation, with: W. Medlin and
M. A Barteau, Journal of Physical Chemistry B, 103, 11169
(1999). [
DOI ]
|
| 12. |
Molecular N2 Chemisorption -
Specific Detection of Step Defect Sites on Pt Surfaces,
with: C. E. Tripa, T. S. Zubkov, J. T. Yates, Jr., and
J. K. Nørskov, The Journal of Chemical Physics,
111, 8651 (1999). [
DOI ]
|
| 11. |
Dissociation of N2, NO, and
CO on transition metal surfaces, with: L. B. Hansen,
J. J. Mortensen, B. Hammer, and J. K Nørskov,
in: "Transition State Modeling for Catalysis", eds:
D. G. Truhlar and K. Morokuma, ACS Symposium Series,
Volume 721, Chapter 19, 245 (1999).
|
| 10. |
The effect of strain on the reactivity of
metal surfaces, with: B. Hammer and J. K. Nørskov,
Physical Review Letters, 81, 2819 (1998). [
DOI ]
|
| 9. |
Oxygenate Reaction Pathways on Transition
Metal Surfaces, with: M A. Barteau, Journal of Molecular
Catalysis A: Chemical, 131, 135 (1998). [ DOI
]
|
| 8. |
First Synthesis, Experimental and Theoretical
Vibrational Spectra of an Oxametallacycle on a Metal Surface,
with: G. S. Jones, J. M. Vohs, and M. A. Barteau, Journal
of the American Chemical Society, 120, 3196 (1998). [
DOI ]
|
| 7. |
Hydrogen energetics in a Si:H, as determined
by a combination of a mean-field modeling with experimental
evolution data, with: A. Franz and J. L. Gland, Physical
Review B, 57, 3927 (1998).[
DOI ]
|
| 6. |
Density Functional Theory Calculations for
Simple Oxametallacycles: Trends across the Periodic Table,
with: D. J. Doren and M. A. Barteau, Journal of Physical
Chemistry B, 102, 394 (1998). [
DOI ]
|
| 5. |
A Mean-Field Modeling Study of the Interaction
between Hydrogen and a Palladium (110) Single Crystal
Surface, with: J. L. Gland and J. W. Schwank, The Journal
of Chemical Physics, 105, 8398 (1996). [
DOI ]
|
| 4. |
Temperature Programmed Desorption Spectra
of Systems with Concentration Gradients in the Solid Lattice,
with: J. L. Gland and J. W. Schwank, Journal of Physical
Chemistry, 100, 11389 (1996).[
DOI ]
|
| 3. |
The Effect of Exposure Time and Pressure
on the Temperature Programmed Desorption Spectra of Systems
with Bulk States, with: J. L. Gland and J. W. Schwank,
Surface Science, 355, L385 (1996). [ DOI
]
|
| 2. |
Transient Mean-Field Reaction-Diffusion
Model Applied to Hydrogen Evolution from Hydrogenated
Amorphous Silicon, with: A. Franz, J. W. Schwank, and
J. L. Gland, Materials Research Society Symposium Proceedings, 377, 325 (1995).
|
| 1. |
Low-Temperature Hydrogenation of Cyclohexene
by Energetic Forms of Hydrogen on the Ni(100) Surface,
with: K. A. Son and J. L. Gland, Journal of Physical Chemistry,
99, 6270 (1995). [ DOI
] |
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