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Publications

  1. "Highly Crystalline Multimetallic Nanoframes with Three-Dimensional Electrocatalytic Surfaces" C. Chen, Y. Kang, Z. Huo, Z. Zhu, W. Huang, H. L. Xin, J. D. Snyder, D. Li, J. A. Herron, M. Mavrikakis, M. Chi, K. L. More, Y. Li, N. M. Markovic, G. A. Somorjai, P. Yang, V. R. Stamenkovic,  Science  343, 1339 (2014). [DOI]

  2. "Advanced Solution Methods for Microkinetic Models of Catalytic Reactions: A Methanol Synthesis Case Study" P. Rubert-Nason, M. Mavrikakis, C. T. Maravelias, L. C. Grabow, L. T. Biegler,  AIChE Journal  60, 1336 (2014). [DOI]

  3. "Formic Acid Decomposition on Au Catalysts: DFT, Microkinetic Modeling, and Reaction Kinetics Experiments" S. Singh, S. Li, R. Carrasquillo-Flores, A. C. Alba-Rubio, J. A. Dumesic, M. Mavrikakis,  AIChE Journal  60, 1303 (2014). [DOI]

  4. "Atomic and Molecular Adsorption on Re(0001)" K. Hahn, M. Mavrikakis,  Topics in Catalysis  57, 54 (2014). [DOI]

  5. "Stabilization of Copper Catalysts for Liquid-Phase Reactions by Atomic Layer Deposition" B. J. O'Neill, D. H. K. Jackson, A. J. Crisci, C. A. Farberow, F. Shi, A. C. Alba-Rubio, J. Lu, P. J. Dietrich, X. Gu, C. L. Marshall, P. C. Stair, J. W. Elam, J. T. Miller, F. H. Ribeiro, P. M. Voyles, J. Greeley, M. Mavrikakis, S. L. Scott, T. F. Kuech, J. A. Dumesic,  Angewandte Chemie International Edition  52, 13808 (2013). [DOI]

  6. "Density Functional Theory and Reaction Kinetics Studies of the Water Gas Shift Reaction on PtRe Catalysts" R. Carrasquillo-Flores, J. M. R. Gallo, K. Hahn, J. A. Dumesic, M. Mavrikakis,  ChemCatChem  5, 3690 (2013). [DOI]

  7. "On the Composition of Bimetallic Near Surface Alloys in the Presence of Oxygen and Carbon Monoxide" J. A. Herron, M. Mavrikakis,  Catalysis Communications  , (2013). [DOI]

  8. "Facile Synthesis of Palladium Right Bipyramids and Their Use as Seeds for Overgrowth and as Catalysts for Formic Acid Oxidation" X. Xia, S.-I. Choi, J. A. Herron, N. Lu, J. Scaranto, H.-C. Peng, J. Wang, M. Mavrikakis, M. J. Kim, Y. Xia,  Journal of the American Chemical Society  135, 15706 (2013). [DOI]

  9. "Structure of Stoichiometric and Oxygen-Rich Ultrathin FeO(111) Films Grown on Pd(111)" H. Zeuthen, W. Kudernatsch, G. Peng, L. R. Merte, L. K. Ono, L. Lammich, Y. Bai, L. C. Grabow, M. Mavrikakis, S. Wendt, F. Besenbacher,  Journal of Physical Chemistry C  117, 15155 (2013). [DOI]

  10. "Mechanistic Studies of Oxygen Reduction by Hydrogen on PdAg(110)" C. A. Farberow, A. Godinez-Garcia, G. Peng, J. F. Perez-Robles, O. Solorza-Feria, M. Mavrikakis,  ACS Catalysis  3, 1622 (2013). [DOI]

  11. "Atomic and Molecular Adsorption on Ru(0001)" J. A. Herron, S. Tonelli, M. Mavrikakis,  Surface Science  614, 64 (2013). [DOI]

  12. "Tuning the Catalytic Activity of Ru@Pt Core–Shell Nanoparticles for the Oxygen Reduction Reaction by Varying the Shell Thickness" L. Yang, M. B. Vukmirovic, D. Su, K. Sasaki, J. A. Herron, M. Mavrikakis, S. Liao, R. R. Adzic,  Journal of Physical Chemistry C  117, 1748 (2013). [DOI]

  13. "Water-Mediated Proton Hopping on an Iron Oxide Surface" L. R. Merte, G. Peng, R. Bechstein, F. Rieboldt, C. A. Farberow, L. C. Grabow, W. Kudernatsch, S. Wendt, E. Lægsgaard, M. Mavrikakis, F. Besenbacher,  Science  336, 889 (2012). [DOI]

  14. "Oxygen Reduction Reaction on Platinum-Terminated "Onion-structured" Alloy Catalysts" J. A. Herron, J. Jiao, K. Hahn, G. Peng, R. R. Adzic, M. Mavrikakis,  Electrocatalysis  3, 192 (2012). [DOI]

  15. "Quantum Tunneling Enabled Self-Assembly of Hydrogen Atoms on Cu(111)" A. D. Jewell, G. Peng, M. F. G. Mattera, E. A. Lewis, C. J. Murphy, G. Kyriakou, M. Mavrikakis, E. C. H. Sykes,  ACS Nano  6, 10115 (2012). [DOI]

  16. "Adsorbate-Induced Segregation in a PdAg Membrane Model System: Pd3Ag(111)" I.-H. Svenum, J. A. Herron, M. Mavrikakis, H. J. Venvik,  Catalysis Today  193, 111 (2012). [DOI]

  17. "Atomic and Molecular Adsorption on Pd(111)" J. A. Herron, S. Tonelli, M. Mavrikakis,  Surface Science  606, 1670 (2012). [DOI]

  18. "Bifunctional Anode Catalysts for Direct Methanol Fuel Cells" J. Rossmeisl, P. Ferrin, G. A. Tritsaris, A. U. Nilekar, S. Koh, S. E. Bae, S. R. Brankovic, P. Strasser, M. Mavrikakis,  Energy & Environmental Science  5, 8335 (2012). [DOI]

  19. "CO2 Hydrogenation to Formic Acid on Ni(110)" G. Peng, S. J. Sibener, G. C. Schatz, M. Mavrikakis,  Surface Science  606, 1050 (2012). [DOI]

  20. "Catalytic Activity of Platinum Monolayer on Iridium and Rhenium Alloy Nanoparticles for the Oxygen Reduction Reaction" H. I. Karan, K. Sasaki, K. Kuttiyiel, C. A. Farberow, M. Mavrikakis, R. R. Adzic,  ACS Catalysis  2, 817 (2012). [DOI]

  21. "A Conversation with Haldor Topsøe" H. Topsøe, M. Mavrikakis,  Annual Review of Chemical and Biomolecular Engineering  3, 1 (2012). [DOI]

  22. "Reactions of Propylene Oxide on Supported Silver Catalysts: Insights into Pathways Limiting Epoxidation Selectivity" A. Kulkarni, M. Bedolla-Pantoja, S. Singh, R. F. Lobo, M. Mavrikakis, M. Barteau,  Topics in Catalysis  55, 3 (2012). [DOI]

  23. "Hydrogen Adsorption, Absorption and Diffusion on and in Transition Metal Surfaces: A DFT Study" P. Ferrin, S. Kandoi, A. U. Nilekar, M. Mavrikakis,  Surface Science  606, 679 (2012). [DOI]

    Read a commentary paper on publication # 105 by Prof. A. Groß


  24. "CO2 Hydrogenation to Formic Acid on Ni(111)" G. Peng, S. J. Sibener, G. C. Schatz, S. T. Ceyer, M. Mavrikakis,  Journal of Physical Chemistry C  116, 3001 (2012). [DOI]

  25. "Mixed-Metal Pt Monolayer Electrocatalysts with Improved CO Tolerance" A. U. Nilekar, K. Sasaki, C. A. Farberow, R. R. Adzic, M. Mavrikakis,  Journal of the American Chemical Society  133, 18574 (2011). [DOI]

  26. "CO-Induced Embedding of Pt Adatoms in a Partially Reduced FeOx Film on Pt(111)" L. R. Merte, J. Knudsen, F. M. Eichhorn, S. Porsgaard, H. Zeuthen, L. C. Grabow, E. Lægsgaard, H. Bluhm, M. Salmeron, M. Mavrikakis, F. Besenbacher,  Journal of the American Chemical Society  133, 10692 (2011). [DOI]

  27. "Microkinetic Analysis and Mechanism of the Water Gas Shift Reaction over Copper Catalysts" R. J. Madon, D. Braden, S. Kandoi, P. Nagel, M. Mavrikakis, J. A. Dumesic,  Journal of Catalysis  281, 1 (2011). [DOI]

  28. "Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation" L. C. Grabow, M. Mavrikakis,  ACS Catalysis  1, 365 (2011). [DOI]

  29. "Molecular-Scale Structure of a Nitrobenzene Monolayer on Si(001)" G. W. Peng, S. Seo, R. E. Ruther, R. J. Hamers, M. Mavrikakis, P. G. Evans,  Journal of Physical Chemistry C  115, 3011 (2011). [DOI]

  30. "Tip-Dependent Scanning Tunneling Microscopy Imaging of Ultrathin FeO Films on Pt(111)" L. R. Merte, L. C. Grabow, G. Peng, J. Knudsen, H. Zeuthen, W. Kudernatsch, S. Porsgaard, E. Lægsgaard, M. Mavrikakis, F. Besenbacher,  Journal of Physical Chemistry C  115, 2089 (2011). [DOI]

  31. "Reaction Kinetics of Ethylene Glycol Reforming over Platinum in the Vapor versus Aqueous Phases" S. Kandoi, J. Greeley, D. Simonetti, J. Shabaker, J. A. Dumesic, M. Mavrikakis,  Journal of Physical Chemistry C  115, 961 (2011). [DOI]

  32. "Alkali-Stabilized Pt-OHx Species Catalyze Low-Temperature Water-Gas Shift Reactions" Y. P. Zhai, D. Pierre, R. Si, W. L. Deng, P. Ferrin, A. U. Nilekar, G. W. Peng, J. A. Herron, D. C. Bell, H. Saltsburg, M. Mavrikakis, M. Flytzani-Stephanopoulos,  Science  329, 1633 (2010). [DOI]

    Read a commentary paper on publication # 96 by Prof. J. M. Thomas


  33. "Low-Temperature CO Oxidation on Ni(111) and on a Au/Ni(111) Surface Alloy" J. Knudsen, L. R. Merte, G. W. Peng, R. T. Vang, A. Resta, E. Laegsgaard, J. N. Andersen, M. Mavrikakis, F. Besenbacher,  ACS Nano  4, 4380 (2010). [DOI]

  34. "On the Mechanism of Low-Temperature CO Oxidation on Ni(111) and NiO(111) Surfaces" G. Peng, L. R. Merte, J. Knudsen, R. T. Vang, E. Laegsgaard, F. Besenbacher, M. Mavrikakis,  Journal of Physical Chemistry C  114, 21579 (2010). [DOI]

  35. "Platinum Monolayer Electrocatalysts for O2 Reduction: Pt Monolayer on Carbon-Supported PdIr Nanoparticles" S. L. Knupp, M. B. Vukmirovic, P. Haldar, J. A. Herron, M. Mavrikakis, R. R. Adzic,  Electrocatalysis  1, 213 (2010). [DOI]

  36. "Kinetically Relevant Steps and H2/D2 Isotope Effects in Fischer-Tropsch Synthesis on Fe and Co Catalysts" M. Ojeda, A. W. Li, R. Nabar, A. U. Nilekar, M. Mavrikakis, E. Iglesia,  Journal of Physical Chemistry C  114, 19761 (2010). [DOI]

  37. "Partial and Complete Reduction of O2 by Hydrogen on Transition Metal Surfaces" D. C. Ford, A. U. Nilekar, Y. Xu, M. Mavrikakis,  Surface Science  604, 1565 (2010). [DOI]

  38. "Preferential CO Oxidation in Hydrogen: Reactivity of Core-Shell Nanoparticles" A. U. Nilekar, S. Alayoglu, B. Eichhorn, M. Mavrikakis,  Journal of the American Chemical Society  132, 7418 (2010). [DOI]

  39. "CO Activation Pathways and the Mechanism of Fischer-Tropsch Synthesis" M. Ojeda, R. Nabar, A. U. Nilekar, A. Ishikawa, M. Mavrikakis, E. Iglesia,  Journal of Catalysis  272, 287 (2010). [DOI]

  40. "Hydrogen on and in Selected Overlayer near-Surface Alloys and the Effect of Subsurface Hydrogen on the Reactivity of Alloy Surfaces" S. Kandoi, P. A. Ferrin, M. Mavrikakis,  Topics in Catalysis  53, 384 (2010). [DOI]

  41. "Reduction of FeO/Pt(111) Thin Films by Exposure to Atomic Hydrogen" J. Knudsen, L. R. Merte, L. C. Grabow, F. M. Eichhorn, S. Porsgaard, H. Zeuthen, R. T. Vang, E. Laegsgaard, M. Mavrikakis, F. Besenbacher,  Surface Science  604, 11 (2010). [DOI]

  42. "Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment" G. Peng, M. Strange, K. S. Thygesen, M. Mavrikakis,  Journal of Physical Chemistry C  113, 20967 (2009). [DOI]

  43. "Step Effects on the Dissociation of NO on Close-Packed Rhodium Surfaces" J. Rempel, J. Greeley, L. B. Hansen, O. H. Nielsen, J. K. Nørskov, M. Mavrikakis,  Journal of Physical Chemistry C  113, 20623 (2009). [DOI]

  44. "Structure Sensitivity of Methanol Electrooxidation on Transition Metals" P. Ferrin, M. Mavrikakis,  Journal of the American Chemical Society  131, 14381 (2009). [DOI]

  45. "Improving Electrocatalysts for O2 Reduction by Fine-Tuning the Pt-Support Interaction: Pt Monolayer on the Surfaces of a Pd3Fe(111) Single-Crystal Alloy" W. P. Zhou, X. F. Yang, M. B. Vukmirovic, B. E. Koel, J. Jiao, G. W. Peng, M. Mavrikakis, R. R. Adzic,  Journal of the American Chemical Society  131, 12755 (2009). [DOI]

  46. "Weak Molecular Chemisorption of N2/Pt(111)" L. W. Bruch, R. P. Nabar, M. Mavrikakis,  Journal of Physics-Condensed Matter  21, 264009 (2009). [DOI]

  47. "Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Brønsted-Evans-Polanyi Relations" P. Ferrin, D. Simonetti, S. Kandoi, E. Kunkes, J. A. Dumesic, J. K. Nørskov, M. Mavrikakis,  Journal of the American Chemical Society  131, 5809 (2009). [DOI]

  48. "Molecular and Atomic Hydrogen Interactions with Au-Ir near-Surface Alloys" P. A. Ferrin, S. Kandoi, J. L. Zhang, R. Adzic, M. Mavrikakis,  Journal of Physical Chemistry C  113, 1411 (2009). [DOI]

  49. "Correlating STM Contrast and Atomic-Scale Structure by Chemical Modification: Vacancy Dislocation Loops on FeO/Pt(111)" L. R. Merte, J. Knudsen, L. C. Grabow, R. T. Vang, E. Laegsgaard, M. Mavrikakis, F. Besenbacher,  Surface Science  603, L15 (2009). [DOI]

  50. "Effectiveness of in Situ NH3 Annealing Treatments for the Removal of Oxygen from GaN Surfaces" L. C. Grabow, J. J. UhIrich, T. F. Kuech, M. Mavrikakis,  Surface Science  603, 387 (2009). [DOI]

  51. "Surface Segregation Energies in Low-Index Open Surfaces of Bimetallic Transition Metal Alloys" A. U. Nilekar, A. V. Ruban, M. Mavrikakis,  Surface Science  603, 91 (2009). [DOI]

  52. "Reactivity Descriptors for Direct Methanol Fuel Cell Anode Catalysts" P. Ferrin, A. U. Nilekar, J. Greeley, M. Mavrikakis, J. Rossmeisl,  Surface Science  602, 3424 (2008). [DOI]

  53. "Nanocatalysis Beyond the Gold-Rush Era" L. C. Grabow, M. Mavrikakis,  Angewandte Chemie-International Edition  47, 7390 (2008). [DOI]

  54. "Improved Oxygen Reduction Reactivity of Platinum Monolayers on Transition Metal Surfaces" A. U. Nilekar, M. Mavrikakis,  Surface Science  602, L89 (2008). [DOI]

    Read a commentary paper on publication # 74 by Profs. J. Rossmeisl and J. K. Nørskov


  55. "Ru-Pt Core-Shell Nanoparticles for Preferential Oxidation of Carbon Monoxide in Hydrogen" S. Alayoglu, A. U. Nilekar, M. Mavrikakis, B. Eichhorn,  Nature Materials  7, 333 (2008). [DOI]

    This article is among the 20 landmark papers published in NATURE MATERIALS between 2002-2012.


  56. "Molecular-Scale Structural Distortion near Vacancies in Pentacene" S. Seo, L. C. Grabow, M. Mavrikakis, R. J. Hamers, N. J. Thompson, P. G. Evans,  Applied Physics Letters  92, 153313 (2008). [DOI]

  57. "Mechanism of the Water Gas Shift Reaction on Pt: First Principles, Experiments, and Microkinetic Modeling" L. C. Grabow, A. A. Gokhale, S. T. Evans, J. A. Dumesic, M. Mavrikakis,  Journal of Physical Chemistry C  112, 4608 (2008). [DOI]

  58. "Practical Surface Treatments and Surface Chemistry of N-Type and P-Type GaN" J. J. Uhlrich, L. C. Grabow, M. Mavrikakis, T. F. Kuech,  Journal of Electronic Materials  37, 439 (2008). [DOI]

  59. "Interaction of Carbon Dioxide with Cu Overlayers on Pt(111)" N. Schumacher, K. Andersson, L. C. Grabow, M. Mavrikakis, J. Nerlov, I. Chorkendorff,  Surface Science  602, 702 (2008). [DOI]

  60. "On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper" A. A. Gokhale, J. A. Dumesic, M. Mavrikakis,  Journal of the American Chemical Society  130, 1402 (2008). [DOI]

  61. "Bimetallic and Ternary Alloys for Improved Oxygen Reduction Catalysis" A. U. Nilekar, Y. Xu, J. L. Zhang, M. B. Vukmirovic, K. Sasaki, R. R. Adzic, M. Mavrikakis,  Topics in Catalysis  46, 276 (2007). [DOI]

  62. "Platinum Monolayer Electrocatalysts for Oxygen Reduction" M. B. Vukmirovic, J. Zhang, K. Sasaki, A. U. Nilekar, F. Uribe, M. Mavrikakis, R. R. Adzic,  Electrochimica Acta  52, 2257 (2007). [DOI]

  63. "Manipulation and Patterning of the Surface Hydrogen Concentration on Pd(111) by Electric Fields" T. Mitsui, E. Fomin, D. F. Ogletree, M. Salmeron, A. U. Nilekar, M. Mavrikakis,  Angewandte Chemie-International Edition  46, 5757 (2007). [DOI]

  64. "On the Role of Subsurface Oxygen and Ethylenedioxy in Ethylene Epoxidation on Silver" J. Greeley, M. Mavrikakis,  Journal of Physical Chemistry C  111, 7992 (2007). [DOI]

  65. "The Effect of Coadsorbed Oxygen on the Adsorption and Diffusion of Potassium on Rh(110): A First-Principles Study" Y. Xu, H. Marbach, R. Imbihl, I. G. Kevrekidis, M. Mavrikakis,  Journal of Physical Chemistry C  111, 7446 (2007). [DOI]

  66. "A Cu/Pt near-Surface Alloy for Water-Gas Shift Catalysis" J. Knudsen, A. U. Nilekar, R. T. Vang, J. Schnadt, E. L. Kunkes, J. A. Dumesic, M. Mavrikakis, F. Besenbacher,  Journal of the American Chemical Society  129, 6485 (2007). [DOI]

  67. "A Theoretical Comparative Study of the Surfactant Effect of Sb and Bi on GaN Growth" A. A. Gokhale, T. F. Kuech, M. Mavrikakis,  Journal of Crystal Growth  303, 493 (2007). [DOI]

  68. "Platinum Monolayer Fuel Cell Electrocatalysts" R. R. Adzic, J. Zhang, K. Sasaki, M. B. Vukmirovic, M. Shao, J. X. Wang, A. U. Nilekar, M. Mavrikakis, J. A. Valerio, F. Uribe,  Topics in Catalysis  46, 249 (2007). [DOI]

  69. "Computational Methods: A Search Engine for Catalysts" M. Mavrikakis,  Nature Materials  5, 847 (2006). [DOI]

  70. "A Simple Rule of Thumb for Diffusion on Transition-Metal Surfaces" A. U. Nilekar, J. Greeley, M. Mavrikakis,  Angewandte Chemie-International Edition  45, 7046 (2006). [DOI]

  71. "Lattice Strain Effects on CO Oxidation on Pt(111)" L. Grabow, Y. Xu, M. Mavrikakis,  Physical Chemistry Chemical Physics  8, 3369 (2006). [DOI]

  72. "Prediction of Experimental Methanol Decomposition Rates on Platinum from First Principles" S. Kandoi, J. Greeley, M. A. Sanchez-Castillo, S. T. Evans, A. A. Gokhale, J. A. Dumesic, M. Mavrikakis,  Topics in Catalysis  37, 17 (2006). [DOI]

  73. "Near-Surface Alloys for Hydrogen Fuel Cell Applications" J. Greeley, M. Mavrikakis,  Catalysis Today  111, 52 (2006). [DOI]

  74. "Surfactant Effect of Sb on GaN Growth" A. A. Gokhale, T. F. Kuech, M. Mavrikakis,  Journal of Crystal Growth  285, 146 (2005). [DOI]

  75. "Effect of Subsurface Oxygen on the Reactivity of the Ag(111) Surface" Y. Xu, J. Greeley, M. Mavrikakis,  Journal of the American Chemical Society  127, 12823 (2005). [DOI]

  76. "Mixed-Metal Pt Monolayer Electrocatalysts for Enhanced Oxygen Reduction Kinetics" J. L. Zhang, M. B. Vukmirovic, K. Sasaki, A. U. Nilekar, M. Mavrikakis, R. R. Adzic,  Journal of the American Chemical Society  127, 12480 (2005). [DOI]

  77. "Atomic and Molecular Adsorption on Pt(111)" D. C. Ford, Y. Xu, M. Mavrikakis,  Surface Science  587, 159 (2005). [DOI]

  78. "Controlling the Catalytic Activity of Platinum-Monolayer Electrocatalysts for Oxygen Reduction with Different Substrates" J. L. Zhang, M. B. Vukmirovic, Y. Xu, M. Mavrikakis, R. R. Adzic,  Angewandte Chemie-International Edition  44, 2132 (2005). [DOI]

  79. "Early Fischer-Tropsch Steps on Fe(110) and Co(0001) surfaces: Comparative DFT studies" A. A. Gokhale, M. Mavrikakis,  Preprints of Symposia - American Chemical Society, Division of Fuel Chemistry  50, 149 (2005).

  80. "Surface and Subsurface Hydrogen: Adsorption Properties on Transition Metals and near-Surface Alloys" J. Greeley, M. Mavrikakis,  Journal of Physical Chemistry B  109, 3460 (2005). [DOI]

  81. "Trends in Low-Temperature Water-Gas Shift Reactivity on Transition Metals" N. Schumacher, A. Boisen, S. Dahl, A. A. Gokhale, S. Kandoi, L. C. Grabow, J. A. Dumesic, M. Mavrikakis, I. Chorkendorff,  Journal of Catalysis  229, 265 (2005). [DOI]

  82. "Alloy Catalysts Designed from First Principles" J. Greeley, M. Mavrikakis,  Nature Materials  3, 810 (2004). [DOI]

  83. "Molecular-Level Descriptions of Surface Chemistry in Kinetic Models Using Density Functional Theory" A. A. Gokhale, S. Kandoi, J. P. Greeley, M. Mavrikakis, J. A. Dumesic,  Chemical Engineering Science  59, 4679 (2004). [DOI]

  84. "Modifications of the Electronic Structure of GaSb Surface by Chalcogen Atoms: S, Se, and Te" Z. Y. Liu, A. A. Gokhale, M. Mavrikakis, D. A. Saulys, T. F. Kuech,  Journal of Applied Physics  96, 4302 (2004). [DOI]

  85. "Effect of Sn on the Reactivity of Cu Surfaces" A. A. Gokhale, G. W. Huber, J. A. Dumesic, M. Mavrikakis,  Journal of Physical Chemistry B  108, 14062 (2004). [DOI]

  86. "Strain-Induced Formation of Subsurface Species in Transition Metals" J. Greeley, W. R. Krekelberg, M. Mavrikakis,  Angewandte Chemie-International Edition  43, 4296 (2004). [DOI]

  87. "Adsorption and Dissociation of O2 on Pt-Co and Pt-Fe Alloys" Y. Xu, A. V. Ruban, M. Mavrikakis,  Journal of the American Chemical Society  126, 4717 (2004). [DOI]

  88. "Competitive Paths for Methanol Decomposition on Pt(111)" J. Greeley, M. Mavrikakis,  Journal of the American Chemical Society  126, 3910 (2004). [DOI]

  89. "On the Origin of the Catalytic Activity of Gold Nanoparticles for Low-Temperature CO Oxidation" N. Lopez, T. V. W. Janssens, B. S. Clausen, Y. Xu, M. Mavrikakis, T. Bligaard, J. K. Nørskov,  Journal of Catalysis  223, 232 (2004). [DOI]

  90. "Why Au and Cu Are More Selective Than Pt for Preferential Oxidation of CO at Low Temperature" S. Kandoi, A. A. Gokhale, L. C. Grabow, J. A. Dumesic, M. Mavrikakis,  Catalysis Letters  93, 93 (2004). [DOI]

  91. "Atomic and Molecular Adsorption on Ir(111)" W. P. Krekelberg, J. Greeley, M. Mavrikakis,  Journal of Physical Chemistry B  108, 987 (2004). [DOI]

  92. "Adsorption and Dissociation of O2 on Gold Surfaces: Effect of Steps and Strain" Y. Xu, M. Mavrikakis,  Journal of Physical Chemistry B  107, 9298 (2003). [DOI]

  93. "A First-Principles Study of Surface and Subsurface H on and in Ni(111): Diffusional Properties and Coverage-Dependent Behavior" J. Greeley, M. Mavrikakis,  Surface Science  540, 215 (2003). [DOI]

  94. "The Adsorption and Dissociation of O2 Molecular Precursors on Cu: The Effect of Steps" Y. Xu, M. Mavrikakis,  Surface Science  538, 219 (2003). [DOI]

  95. "Atomic-Scale Evidence for an Enhanced Catalytic Reactivity of Stretched Surfaces" J. Wintterlin, T. Zambelli, J. Trost, J. Greeley, M. Mavrikakis,  Angewandte Chemie-International Edition  42, 2850 (2003). [DOI]

  96. "DFT Studies for Cleavage of C-C and C-O Bonds in Surface Species Derived from Ethanol on Pt(111)" R. Alcala, M. Mavrikakis, J. A. Dumesic,  Journal of Catalysis  218, 179 (2003). [DOI]

  97. "Microcalorimetric, Infrared Spectroscopic and DFT Studies of CO Adsorption on Rh and Rh-Te Catalysts" R. He, H. Kusaka, M. Mavrikakis, J. A. Dumesic,  Journal of Catalysis  217, 209 (2003). [DOI]

  98. "DFT and Experimental Studies of C-C and C-O Bond Cleavage in Ethanol and Ethylene Glycol on Pt Catalysis" R. R. Davda, R. Alcala, J. Shabaker, G. Huber, R. D. Cortright, M. Mavrikakis, J. A. Dumesic,  Studies in Surface Science and Catalysis  145, 79 (2003). [DOI]

  99. "CO Vibrational Frequencies on Methanol Synthesis Catalysts: A DFT Study" J. Greeley, A. A. Gokhale, J. Kreuser, J. A. Dumesic, H. Topsoe, N. Y. Topsoe, M. Mavrikakis,  Journal of Catalysis  213, 63 (2003). [DOI]

  100. "Atomic and Molecular Adsorption on Rh(111)" M. Mavrikakis, J. Rempel, J. Greeley, L. B. Hansen, J. K. Nørskov,  Journal of Chemical Physics  117, 6737 (2002). [DOI]

  101. "The Addition of Sb as a Surfactant to GaN Growth by Metal Organic Vapor Phase Epitaxy" L. Zhang, H. F. Tang, J. Schieke, M. Mavrikakis, T. F. Kuech,  Journal of Applied Physics  92, 2304 (2002). [DOI]

  102. "Structure Sensitivity of CO Dissociation on Rh Surfaces" M. Mavrikakis, M. Baumer, H. J. Freund, J. K. Nørskov,  Catalysis Letters  81, 153 (2002). [DOI]

  103. "Universality in Heterogeneous Catalysis" J. K. Nørskov, T. Bligaard, A. Logadottir, S. Bahn, L. B. Hansen, M. Bollinger, H. Bengaard, B. Hammer, Z. Sljivancanin, M. Mavrikakis, Y. Xu, S. Dahl, C. J. H. Jacobsen,  Journal of Catalysis  209, 275 (2002). [DOI]

  104. "Influence of Bi Impurity as a Surfactant During the Growth of GaN by Metalorganic Vapor Phase Epitaxy" L. Zhang, H. F. Tang, J. Schieke, M. Mavrikakis, T. F. Kuech,  Journal of Crystal Growth  242, 302 (2002). [DOI]

  105. "A First-Principles Study of Methanol Decomposition on Pt(111)" J. Greeley, M. Mavrikakis,  Journal of the American Chemical Society  124, 7193 (2002). [DOI]

  106. "Adsorption and Dissociation of O2 on Ir(111)" Y. Xu, M. Mavrikakis,  Journal of Chemical Physics  116, 10846 (2002). [DOI]

  107. "Methanol Decomposition on Cu(111): A DFT Study" J. Greeley, M. Mavrikakis,  Journal of Catalysis  209, 291 (2002). [DOI]

  108. "Density-Functional Theory Studies of Acetone and Propanal Hydrogenation on Pt(111)" R. Alcala, J. Greeley, M. Mavrikakis, J. A. Dumesic,  Journal of Chemical Physics  116, 8973 (2002). [DOI]

  109. "Electronic Structure and Catalysis on Metal Surfaces" J. Greeley, J. K. Nørskov, M. Mavrikakis,  Annual Review of Physical Chemistry  53, 319 (2002). [DOI]

  110. "Adsorption and Dissociation of O2 on Cu(111): Thermochemistry, Reaction Barrier and the Effect of Strain" Y. Xu, M. Mavrikakis,  Surface Science  494, 131 (2001). [DOI]

  111. "Density Functional Theory Studies of the Adsorption of Ethylene and Oxygen on Pt(111) and Pt3Sn(111)" R. M. Watwe, R. D. Cortright, M. Mavrikakis, J. K. Nørskov, J. A. Dumesic,  Journal of Chemical Physics  114, 4663 (2001). [DOI]

  112. "Catalysis from First Principles" J. K. Nørskov, M. Mavrikakis,  Proceedings of the First International Conference on Foundations of Molecular Modeling and Simulation  FOMMS 2000, I19-1 (2000).

  113. "Diffusion of N Adatoms on the Fe(100) Surface" M. Ø. Pedersen, L. Osterlund, J. J. Mortensen, M. Mavrikakis, L. B. Hansen, I. Stensgaard, E. Lægsgaard, J. K. Nørskov, and F. Besenbacher,  Physical Review Letters  84, 4898 (2000). [DOI]

  114. "Making Gold Less Noble" M. Mavrikakis, P. Stoltze, J. K. Nørskov,  Catalysis Letters  64, 101 (2000). [DOI]

  115. "Stabilities of Substituted Oxametallacycle Intermediates: Implications for Regioselectivity of Epoxide Ring Opening and Olefin Epoxidation" J. W. Medlin, M. Mavrikakis, M. A. Barteau,  Journal of Physical Chemistry B  103, 11169 (1999). [DOI]

  116. "Molecular N2 Chemisorption - Specific Detection of Step Defect Sites on Pt Surfaces" C. E. Tripa, T. S. Zubkov, J. T. Yates, Jr., M. Mavrikakis, J. K. Nørskov,  Journal of Chemical Physics  111, 8651 (1999). [DOI]

  117. "Dissociation of N2, NO, and CO on Transition Metal Surfaces" M. Mavrikakis, L. B. Hansen, J. J. Mortensen, B. Hammer, and J. K. Nørskov,  ACS Symposium Series  Volume 721, Chapter 19, 245 (1999). [DOI]

  118. "Oxygenate Reaction Pathways on Transition Metal Surfaces" M. Mavrikakis, M. A. Barteau,  Journal of Molecular Catalysis a-Chemical  131, 135 (1998). [DOI]

  119. "First Synthesis, Experimental and Theoretical Vibrational Spectra of an Oxametallacycle on a Metal Surface" G. S. Jones, M. Mavrikakis, M. A. Barteau, J. M. Vohs,  Journal of the American Chemical Society  120, 3196 (1998). [DOI]

  120. "Hydrogen Energetics in Alpha-Si : H as Determined by a Combination of Mean-Field Modeling and Experimental Evolution Data" A. J. Franz, M. Mavrikakis, J. L. Gland,  Physical Review B  57, 3927 (1998). [DOI]

  121. "Density Functional Theory Calculations for Simple Oxametallacycles: Trends across the Periodic Table" M. Mavrikakis, D. J. Doren, M. A. Barteau,  Journal of Physical Chemistry B  102, 394 (1998). [DOI]

  122. "The Effect of Strain on the Reactivity of Metal Surfaces" M. Mavrikakis, B. Hammer, J. K. Nørskov,  Physical Review Letters  81, 2819 (1998). [DOI]

  123. "A Mean-Field Modeling Study of the Interaction between Hydrogen and a Palladium(110) Single Crystal" M. Mavrikakis, J. W. Schwank, J. L. Gland,  Journal of Chemical Physics  105, 8398 (1996). [DOI]

  124. "Temperature Programmed Desorption Spectra of Systems with Concentration Gradients in the Solid Lattice" M. Mavrikakis, J. W. Schwank, J. L. Gland,  Journal of Physical Chemistry  100, 11389 (1996). [DOI]

  125. "The Effects of Exposure Time and Pressure on the Temperature-Programmed Desorption Spectra of Systems with Bulk States" M. Mavrikakis, J. W. Schwank, J. L. Gland,  Surface Science  355, L385 (1996). [DOI]

  126. "Transient Mean-Field Reaction-Diffusion Model Applied to Hydrogen Evolution from Hydrogenated Amorphous Silicon" A. Franz, M. Mavrikakis, J. W. Schwank, J. L. Gland,  Materials Research Society Symposium Proceedings  377, 325 (1995). [DOI]

  127. "Low-Temperature Hydrogenation of Cyclohexene by Energetic Forms of Hydrogen on the Ni(100) Surface" K. A. Son, M. Mavrikakis, J. L. Gland,  Journal of Physical Chemistry  99, 6270 (1995). [DOI]