Surface Science

  1. Atomic and molecular adsorption on Fe(110)”, L. Xu, D. Kirvassilis, Y. Bai, and M. Mavrikakis, Surface Science 667, 54 (2018). [DOI]
  2. Toward Rational Nanoparticle Synthesis: Predicting Surface Intermixing in Bimetallic Alloy Nanocatalysts”, L. T. Roling and M. Mavrikakis, Nanoscale 9, 15005 (2017). [DOI]
  3. Design of Chemoresponsive Liquid Crystals through Integration of Computational Chemistry and Experimental Studies”, T. Szilvási, L. T. Roling, H. Yu, P. Rai, S. Choi, R. J. Twieg, M. Mavrikakis, and N. L. Abbott Chemistry of Materials 29, 3563 (2017). [DOI]
  4. Dimethyl Ether Electro-Oxidation on Platinum Surfaces”, L. T. Roling, J. A. Herron, W. Budiman, P. Ferrin, and M. Mavrikakis, Nano Energy 29, 428 (2016). [DOI]
  5. Towards first-principles molecular design of liquid crystal-based chemoresponsive systems”, L. T. Roling, J. Scaranto, J. A. Herron, H. Yu, S. Choi, N. L. Abbott, and M. Mavrikakis, Nature Communications 7, 13338 (2016). [DOI]
  6. Synthesis and Characterization of Pt–Ag Alloy Nanocages with Enhanced Activity and Durability toward Oxygen Reduction”, X. Yang, L. T. Roling, M. Vara, A. O. Elnabawy, M. Zhao, Z. D. Hood, S. Bao, M. Mavrikakis, and Y. Xia, Nano Letters 16, 6644 (2016). [DOI]
  7. Synthesis and Characterization of Ru Cubic Nanocages with a Face-Centered-Cubic (fcc) Structure by Templating with Pd Nanocubes”, M. Zhao, L. Figueroa-Cosme, A. O. Elnabawy, M. Vara, X. Yang, L. T. Roling, M. Chi, M. Mavrikakis, and Y. Xia, Nano Letters 16, 5310 (2016). [DOI]
  8. Identification of O-rich structures on platinum(111)-supported ultrathin iron oxide films”, L. R. Merte, Y. Bai, H. Zeuthen, G. Peng, L. Lammich, F. Besenbacher, M. Mavrikakis, and S. Wendt, Surface Science 652, 261 (2016). [DOI]
  9. Density functional theory studies of HCOOH decomposition on Pd(111)”, J. Scaranto, and M. Mavrikakis Surface Science 650, 111 (2016). [DOI]
  10. Chloroform Hydrodechlorination over Palladium–Gold Catalysts: A First-Principles DFT Study”, L. Xu, X. Yao, A. Khan, and M. Mavrikakis, ChemCatChem 8, 1739 (2016). [DOI]
  11. Heterogeneous Reduction Pathways for Hg(II) Species on Dry Aerosols: A First-Principles Computational Study”, S. A. Tacey, L. Xu, M. Mavrikakis, and J. J. Schauer, Journal of Physical Chemistry A 120, 2106 (2016). [DOI]
  12. Active sites and mechanisms for H2O2 decomposition over Pd catalysts”, A. Plauck, E. E. Stangland, J. A. Dumesic, and M. Mavrikakis, Proceedings of the National Academy of Sciences of the United States of America 113, E1973 (2016). [DOI]
  13. DFT Insights into the Competitive Adsorption of Sulfur- and Nitrogen-Containing Compounds and Hydrocarbons on Co-Promoted Molybdenum Sulfide Catalysts”, S. Rangarajan, and M. Mavrikakis, ACS Catalysis 6, 2904 (2016). [DOI]
  14. HCOOH decomposition on Pt(111): A DFT study”, J. Scaranto, and M. Mavrikakis Surface Science 648, 201 (2016). [DOI]
  15. An Adsorption Study of CH4 on ZSM-5, MOR, and ZSM-12 Zeolites”, Y. Zhang, J. Yu, Y. Yeh, R. J. Gorte, S. Rangarajan, and M. Mavrikakis Journal of Physical Chemistry C 119, 28970 (2015). [DOI]
  16. On the Structure Sensitivity of Dimethyl Ether Electro-oxidation on Eight FCC Metals: A First-Principles Study”, J. A. Herron, P. Ferrin, and M. Mavrikakis, Topics in Catalysis 58, 1159 (2015). [DOI]
  17. Adsorption of Nitrogen- and Sulfur-Containing Compounds on NiMoS for Hydrotreating Reactions: A DFT and vdW-Corrected Study”, S. Rangarajan, and M. Mavrikakis, AIChE Journal 61, 4036 (2015). [DOI]
  18. (Feature Article Cover Page image)

  19. Direct Synthesis of Hydrogen Peroxide Over Au–Pd Catalysts Prepared by Electroless Deposition”, A. C. Alba-Rubio, A. Plauck, E. E. Stangland, M. Mavrikakis, J. A. Dumesic, Catalysis Letters 145, 2057 (2015). [DOI]
  20. Direct Visualization of Catalytically Active Sites at the FeO–Pt(111) Interface”, W. Kudernatsch, G. Peng, H. Zeuthen, Y. Bai, L. R. Merte, L. Lammich, F. Besenbacher, M. Mavrikakis, and S. Wendt, ACS Nano 9, 7804 (2015). [DOI]
  21. Stability of surface and subsurface hydrogen on and in Au/Ni near-surface alloys”, F. E. Celik and M. Mavrikakis, Surface Science 640, 190 (2015). [DOI]
  22. Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets”, L. Zhang, L. T. Roling, X. Wang, M. Vara, M. Chi, J. Liu, S. Choi, J. Park, J. A. Herron, Z. Xie, M. Mavrikakis, and Y. Xia Science 349, 412 (2015). [DOI]
  23. Read a commentary paper on publication # 144 by Prof. P. Strasser

  24. Controlling the electronic structure of graphene using surface-adsorbate interactions”, P. Matyba, A. Carr, C. Chen, D. L. Miller, G. Peng, S. Mathias, M. Mavrikakis, D. S. Dessau, M. W. Keller, H. C. Kapteyn, and M. Murnane Physical Review B 92, 041407(R) (2015). [DOI]
  25. A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects”, S. Choi, J. A. Herron, J. Scaranto, H. Huang, Y. Wang, X. Xia, T. Lv, J. Park, H. Peng, M. Mavrikakis, and Y. Xia, ChemCatChem 7, 2077 (2015). [DOI]
  26. Electrocatalytic Oxidation of Ammonia on Transition-Metal Surfaces: A First-Principles Study”, J. A. Herron, P. Ferrin and M. Mavrikakis, Journal of Physical Chemistry C 119, 14692 (2015). [DOI]
  27. Palladium–platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction”, X. Wang, S. Choi, L. Roling, M. Luo, C. Ma, L. Zhang, M. Chi, J. Liu, Z. Xie, J. Herron, M. Mavrikakis, and Y. Xia, Nature Communications 6, 7594 (2015). [DOI]
  28. Adsorbate Diffusion on Transition Metal Nanoparticles”, G. Peng and M. Mavrikakis, Nano Letters 15, 629 (2015). [DOI]
  29. Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study”, J. A. Herron , J. Scaranto , P. Ferrin , S. Li , and M. Mavrikakis, ACS Catalysis 4, 4434 (2014). [DOI]
  30. First-Principles Mechanistic Analysis of Dimethyl Ether Electro-Oxidation on Monometallic Single-Crystal Surfaces”, J. A. Herron, P. Ferrin, M. Mavrikakis, Journal of Physical Chemistry C 118, 24199 (2014). [DOI]
    (Feature Article Cover Page image)
  31. Density Functional Theory Calculations and Analysis of Reaction Pathways for Reduction of Nitric Oxide by Hydrogen on Pt(111)”, C. A. Farberow, J. A. Dumesic, M. Mavrikakis, ACS Catalysis 4, 3307 (2014). [DOI]
    (Selected as ACS Editors’ Choice)
  32. Water Clustering on Nanostructured Iron Oxide Films”, L. R. Merte, R. Bechstein, G. Peng, F. Rieboldt, C. A. Farberow, H. Zeuthen, J. Knudsen, E. Lægsgaard, S. Wendt, M. Mavrikakis, F. Besenbacher, Nature Communications 5, 4193 (2014). [DOI]
  33. Atomic and Molecular Adsorption on Au(111)”, Y. Santiago-Rodríguez, J. A. Herron, M. C. Curet-Arana, M. Mavrikakis, Surface Science 627, 57 (2014). [DOI]
  34. Significant Quantum Effects in Hydrogen Activation”, G. Kyriakou, E. R. M. Davidson, G. Peng, L. T. Roling, S. Singh, M. B. Boucher, M. D. Marcinkowski, M. Mavrikakis, A. Michaelides, E. C. H. Sykes, ACS Nano 8, 4827 (2014). [DOI]
  35. 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]
  36. 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]
  37. Atomic and Molecular Adsorption on Re(0001)”, K. Hahn, M. Mavrikakis, Topics in Catalysis 57, 54 (2014). [DOI]
  38. On the Composition of Bimetallic Near Surface Alloys in the Presence of Oxygen and Carbon Monoxide”, J. A. Herron, M. Mavrikakis, Catalysis Communications 52, 65 (2014). [DOI]
  39. 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]
  40. 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]
  41. 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]
  42. Atomic and Molecular Adsorption on Ru(0001)”, J. A. Herron, S. Tonelli, M. Mavrikakis, Surface Science 614, 64 (2013). [DOI]
  43. 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]
  44. 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]
  45. 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]
  46. 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]
  47. 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]
  48. Atomic and Molecular Adsorption on Pd(111)”, J. A. Herron, S. Tonelli, M. Mavrikakis, Surface Science 606, 1670 (2012). [DOI]
  49. 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]
  50. CO2 Hydrogenation to Formic Acid on Ni(110)”, G. Peng, S. J. Sibener, G. C. Schatz, M. Mavrikakis, Surface Science 606, 1050 (2012). [DOI]
  51. 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]
  52. 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]
  53. 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
  54. 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]
  55. 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]
  56. 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]
  57. Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation”, L. C. Grabow, M. Mavrikakis, ACS Catalysis 1, 365 (2011). [DOI]
  58. 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]
  59. 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]
  60. 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]
  61. 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]
  62. 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]
  63. 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]
  64. 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]
  65. 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]
  66. 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]
  67. 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]
  68. 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]
  69. Structure Sensitivity of Methanol Electrooxidation on Transition Metals”, P. Ferrin, M. Mavrikakis, Journal of the American Chemical Society 131, 14381 (2009). [DOI]
  70. 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]
  71. Weak Molecular Chemisorption of N2/Pt(111)”, L. W. Bruch, R. P. Nabar, M. Mavrikakis, Journal of Physics-Condensed Matter 21, 264009 (2009). [DOI]
  72. 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]
  73. 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]
  74. 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]
  75. 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]
  76. 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]
  77. 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
  78. 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.
  79. 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]
  80. 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]
  81. 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]
  82. 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]
  83. 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]
  84. 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]
  85. 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]
  86. 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]
  87. Lattice Strain Effects on CO Oxidation on Pt(111)”, L. Grabow, Y. Xu, M. Mavrikakis, Physical Chemistry Chemical Physics 8, 3369 (2006). [DOI]
  88. 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]
  89. Near-Surface Alloys for Hydrogen Fuel Cell Applications”, J. Greeley, M. Mavrikakis, Catalysis Today 111, 52 (2006). [DOI]
  90. 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]
  91. 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]
  92. Atomic and Molecular Adsorption on Pt(111)”, D. C. Ford, Y. Xu, M. Mavrikakis, Surface Science 587, 159(2005). [DOI]
  93. 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]
  94. 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).
  95. 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]
  96. 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]
  97. Alloy Catalysts Designed from First Principles”, J. Greeley, M. Mavrikakis, Nature Materials 3, 810 (2004). [DOI]
  98. 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]
  99. Strain-Induced Formation of Subsurface Species in Transition Metals”, J. Greeley, W. R. Krekelberg, M. Mavrikakis, Angewandte Chemie-International Edition 43, 4296 (2004). [DOI]
  100. 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]
  101. Competitive Paths for Methanol Decomposition on Pt(111)”, J. Greeley, M. Mavrikakis, Journal of the American Chemical Society 126, 3910 (2004). [DOI]
  102. 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]
  103. Atomic and Molecular Adsorption on Ir(111)”, W. P. Krekelberg, J. Greeley, M. Mavrikakis, Journal of Physical Chemistry B 108, 987 (2004). [DOI]
  104. 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]
  105. 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]
  106. The Adsorption and Dissociation of O2 Molecular Precursors on Cu: The Effect of Steps”, Y. Xu, M. Mavrikakis, Surface Science 538, 219 (2003). [DOI]
  107. 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]
  108. 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]
  109. DFT and Experimental Studies of C-C and C-O Bond Cleavage in Ethanol and Ethylene Glycol on Pt Catalysts”, 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]
  110. 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]
  111. 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]
  112. Structure Sensitivity of CO Dissociation on Rh Surfaces”, M. Mavrikakis, M. Baumer, H. J. Freund, J. K. Nørskov, Catalysis Letters 81, 153 (2002). [DOI]
  113. 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]
  114. A First-Principles Study of Methanol Decomposition on Pt(111)”, J. Greeley, M. Mavrikakis, Journal of the American Chemical Society 124, 7193 (2002). [DOI]
  115. Adsorption and Dissociation of O2 on Ir(111)”, Y. Xu, M. Mavrikakis, Journal of Chemical Physics 116,10846 (2002). [DOI]
  116. Methanol Decomposition on Cu(111): A DFT Study”, J. Greeley, M. Mavrikakis, Journal of Catalysis 209,291 (2002). [DOI]
  117. 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]
  118. 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]
  119. 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]
  120. 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]
  121. Making Gold Less Noble”, M. Mavrikakis, P. Stoltze, J. K. Nørskov, Catalysis Letters 64, 101 (2000). [DOI]
  122. 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]
  123. 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]
  124. 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]
  125. Oxygenate Reaction Pathways on Transition Metal Surfaces”, M. Mavrikakis, M. A. Barteau, Journal of Molecular Catalysis a-Chemical 131, 135 (1998). [DOI]
  126. 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]
  127. 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]
  128. The Effect of Strain on the Reactivity of Metal Surfaces”, M. Mavrikakis, B. Hammer, J. K. Nørskov, Physical Review Letters 81, 2819 (1998). [DOI]
  129. 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]
  130. 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]
  131. 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]
  132. 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]
  133. 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]