Liquid-Phase Catalysis

  1. Dimethyl Ether Electro-Oxidation on Platinum Surfaces”, L. T. Roling, J. A. Herron, W. Budiman, P. Ferrin, and M. Mavrikakis, Nano Energy , (2016). [DOI]
  2. 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]
  3. 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]
  4. 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]
  5. 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]
  6. Read a commentary paper on publication # 144 by Prof. P. Strasser

  7. 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]
  8. 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]
  9. Atomic Layer-by-Layer Deposition of Platinum on Palladium Octahedra for Enhanced Catalysts toward the Oxygen Reduction Reaction”, J. Park, L. Zhang, S. Choi, L. T. Roling, N. Lu, J. A. Herron, S. Xie, J. Wang, M. J. Kim, M. Mavrikakis and Y. Xia, ACS Nano 9, 2635 (2015). [DOI]
  10. Adsorbate Diffusion on Transition Metal Nanoparticles”, G. Peng and M. Mavrikakis, Nano Letters 15, 629 (2015). [DOI]
  11. 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]
  12. 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)
  13. 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]
  14. Atomic Layer-by-Layer Deposition of Pt on Pd Nanocubes for Catalysts with Enhanced Activity and Durability toward Oxygen Reduction”, S. Xie, S.-I. Choi, N. Lu, L. T. Roling, J. A. Herron, L. Zhang, J. Park, J. Wang, M. J. Kim, Z. Xie, M. Mavrikakis, Y. Xia, Nano Letters 14, 3570 (2014). [DOI]
  15. 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]
  16. 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]
  17. 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]
  18. 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]
  19. 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]
  20. 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]
  21. 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]
    Supplementary Information
  22. 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]
  23. 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]
  24. 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]
  25. 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]
  26. 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
  27. 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]
  28. 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]
  29. 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]
  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. 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]
  33. Structure Sensitivity of Methanol Electrooxidation on Transition Metals”, P. Ferrin, M. Mavrikakis, Journal of the American Chemical Society 131, 14381 (2009). [DOI]
  34. 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]
  35. 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]
  36. 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]
  37. 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]
  38. 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]
  39. Alloy Catalysts Designed from First Principles”, J. Greeley, M. Mavrikakis, Nature Materials 3, 810 (2004). [DOI]
  40. 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]
  41. 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]