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“Adsorbate-induced adatom formation on Au-Cu bimetallic alloys and its possible consequences for CO2 electroreduction”, L. Xu, M. Rebarchik, S. Bhandari, and M. Mavrikakis, Surface Science 751, 122613 (2025). [DOI]“Moiré Patterns in Pt Overlayers on Gold: A Graph Neural Network Interatomic Potential Study”, T. Wolter, E. Smith, R. Schimmenti, J. Schiøtz, K. W. Jacobsen, and M. Mavrikakis, The Journal of Physical Chemistry C 128, 19357 (2024). [DOI]“Adsorption Properties of Au-Ni Surface Alloys with a Nonstoichiometric Moiré Structure: A Density Functional Theory Study”, L. Xu and M. Mavrikakis, The Journal of Physical Chemistry C 128, 9973 (2024). [DOI]“Exploring the Impact of Active Site Structure on the Conversion of Methane to Methanol in Cu-Exchanged Zeolites”, F. Göltl, S. Bhandari, E.A. Lebrón-Rodríguez, J.I. Gold, D.J. Hutton, S.I. Zones, I. Hermans, J.A. Dumesic and M. Mavrikakis, Angewandte Chemie International Edition , e202403179 (2024). [DOI]“Structure sensitivity in adsorbate-induced adatom formation on FCC transition-metal surfaces”, L. Xu and M. Mavrikakis, Journal of Catalysis 431, 115373 (2024). [DOI]“Actuating Liquid Crystals Rapidly and Reversibly by using Chemical Catalysis”, H. Yu, J. I. Gold, T. J. Wolter, N. Bao, E. Smith, H. A. Zhang, R. J. Twieg, M. Mavrikakis, N. L. Abbott, Advanced Materials 36, 2309605 (2024). [DOI]“Thermal Stability of Au Rhombic Dodecahedral Nanocrystals Can Be Greatly Enhanced by Coating Their Surface with an Ultrathin Shell of Pt”, V. D. Pawlik, X. Zhao, M. Figueras-Valls, T. J. Wolter, Z. D. Hood, Y. Ding, J. Liu, M. Chi, M. Mavrikakis, and Y. Xia, Nano Letters 24, 549 (2024). [DOI]“Molecular-scale Insights into Cooperativity Switching of xTAB Adsorption on Gold Nanoparticles”, L. Xu, R. Ye, M. Mavrikakis, and P. Chen, ACS Central Science 10, 65 (2024). [DOI]“Elucidating Molecular-Scale Principles Governing the Anchoring of Liquid Crystal Mixtures on Solid Surfaces”, J. I. Gold, J. K. Sheavly, N. Bao, H. Yu, J. Rajbangshi, J. J. Schauer, V. M. Zavala, N. L. Abbott, R. C. Van Lehn, and M. Mavrikakis, ACS Nano 17, 22620 (2023). [DOI]“Fast and Non-equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals”, S. Zhou, M. Figueras-Valls, Y. Shi, Y. Ding, M. Mavrikakis, and Y. Xia, Angewandte Chemie International Edition 62, e202306906 (2023). [DOI]
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“Scalable Extraction of Information from Spatiotemporal Patterns of Chemoresponsive Liquid Crystals Using Topological Descriptors”, S. Jiang, N. Bao, A. D. Smith, S. Byndoor, R. C. Van Lehn, M. Mavrikakis, N. L. Abbott, and V. M. Zavala, Journal of Physical Chemistry C 127, 16081 (2023). [DOI]“Adsorbate-Induced Adatom Formation on Lithium, Iron, Cobalt, Ruthenium, and Rhenium Surfaces”, L. Xu and M. Mavrikakis, Journal of the American Chemical Society Au 3, 2216 (2023). [DOI]“Gas-phase microactuation using kinetically controlled surface states of ultrathin catalytic sheets”, N. Bao, Q. Liu, M. F. Reynolds, M. Figueras, E. Smith, W. Wang, M. C. Cao, D. A. Muller, M. Mavrikakis, I. Cohen, P. L. McEuen, and N. L. Abbott, Proceedings of the National Academy of Sciences 120, e2221740120 (2023). [DOI]“A comparative analysis of different van der Waals treatments for molecular adsorption on the basal plane of 2H-MoS2“, S. Rangarajan and M. Mavrikakis, Surface Science 729, 122226 (2023). [DOI]“Investigation of the mesogenic behavior of alkoxy and fluorine tail terminated alkoxy nitrobiphenyls for chemoresponsive liquid crystals”, M. S. Rahman, T. Wolter, A. Tripathi, N. L. Abbott, M. Mavrikakis, and R. J. Twieg, Liquid Crystals 49, 2082 (2022). [DOI]“Sensing Gas Mixtures by Analyzing the Spatiotemporal Optical Responses of Liquid Crystals Using 3D Convolutional Neural Networks”, N. Bao, S. Jiang, A. Smith, J. J. Schauer, M. Mavrikakis, R. C. Van Lehn, V. M. Zavala, and N. L. Abbott, ACS Sensors 7, 2545 (2022). [DOI]“Generalized Brønsted-Evans-Polanyi Relationships for Reactions on Metal Surfaces from Machine Learning”, F. Götl and M. Mavrikakis, ChemCatChem 14, e202201108 (2022). [DOI]“Coupling the Chemical Reactivity of Bimetallic Surfaces to the Orientations of Liquid Crystals”, T. Szilvasi, H. Yu, J. Gold, N. Bao, T. Wolter, R. Twieg, N. L. Abbott, and M. Mavrikakis, Materials Horizons 8, 2050 (2021). [DOI]“Designing chemically selective liquid crystalline materials that respond to oxidizing gases”, N. Bao, J. I. Gold, T. Szilvási, H. Yu, R. J. Twieg, M. Mavrikakis, and N. L. Abbott, Journal of Materials Chemistry C 9, 6507 (2021). [DOI]“Design of Chemoresponsive Soft Matter Using Hydrogen-Bonded Liquid Crystals”, H. Yu, K. Wang, T. Szilvási, K. Nayani, N. Bao, R. J. Twieg, M. Mavrikakis, and N. L. Abbott, Materials 14, 1055 (2021). [DOI]“Effect of Strain on the Reactivity of Graphene Films”, T. Kropp and M. Mavrikakis, Journal of Catalysis 390, 67 (2020). [DOI]“Areas of Opportunity Related to Design of Chemical and Biological Sensors based on Liquid Crystals”, K. Nayani, Y. Yang, H. Yu, P. Jani, M. Mavrikakis, and N. Abbott, Liquid Crystals Today 29, 24 (2020). [DOI]“Influence of multifluorophenyloxy terminus on the mesomorphism of the alkoxy and alkyl cyanobiphenyl compounds in search of new ambient nematic liquid crystals and mixtures”, K. Wang, M. S. Rahman, T. Szilvási, J. I. Gold, N. Bao, H. Yu, N. L. Abbott, M. Mavrikakis, and R. J. Twieg, Liquid Crystals 48, 672 (2020). [DOI]“Binding of Organophosphorus Nerve Agents and Their Simulants to Metal Salts”, J. Gold, T. Szilvási, N. L. Abbott, and M. Mavrikakis, ACS Applied Materials & Interfaces 12, 30941 (2020). [DOI]“Comparing the performance of density functionals in describing the adsorption of atoms and small molecules on Ni(111)”, F. Göltl, E. A. Murray, S. A. Tacey, S. Rangarajan, and M. Mavrikakis, Surface Science 700, 121675 (2020). [DOI]“New room temperature nematogens by cyano tail termination of alkoxy and alkylcyanobiphenyls and their anchoring behavior on metal salt-decorated surface”, K. Wang, T. Szilvási, J. Gold, H. Yu, N. Bao, P. Rai, M. Mavrikakis, N. L. Abbott, and R. J. Twieg, Liquid Crystals 47, 540 (2020). [DOI]“Synthesis and properties of fluorine tail-terminated cyanobiphenyls and terphenyls for chemoresponsive liquid crystals”, K. Wang, P. Rai, A. Fernando, T. Szilvási, H. Yu, N. L. Abbott, M. Mavrikakis, and R. J. Twieg, Liquid Crystals 47, 3 (2020). [DOI]“Amplification of Elementary Surface Reaction Steps on Transition Metal Surfaces Using Liquid Crystals: Dissociative Adsorption and Dehydrogenation”, H. Yu, T. Szilvási, K. Wang, J. I. Gold, N. Bao, R. J. Twieg, M. Mavrikakis, and N. L. Abbott, Journal of the American Chemical Society 141, 16003 (2019). [DOI]“Atomic and Molecular Adsorption on Ag(111)”, B. W. J. Chen, D. Kirvassilis, Y. Bai, and M. Mavrikakis, Journal of Physical Chemistry C 123, 7551 (2019). [DOI]“Synthesis and properties of hydroxy tail terminated cyanobiphenyl liquid crystals”, K. Wang, M. Jirka, P. Rai, R. J. Twieg, T. Szilvási, H. Yu, N. L. Abbott, and M. Mavrikakis, Liquid Crystals 46, 397 (2019). [DOI]“Atomic and Molecular Adsorption on Ni(111)”, Y. Bai, D. Kirvassilis, L. Xu, and M. Mavrikakis, Surface Science 679, 240 (2019). [DOI]“Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas”, T. Szilvási, N. Bao, K. Nayani, H. Yu, P. Rai, R. J. Twieg, M. Mavrikakis, and N. L. Abbott, Angewandte Chemie International Edition 57, 9665 (2018). [DOI]“Liquid Crystals with Interfacial Ordering that Enhances Responsiveness to Chemical Targets”, K. Nayani, P. Rai, N. Bao, H. Yu, M. Mavrikakis, R. J. Twieg, and N. L. Abbott, Advanced Materials 30, 1706707 (2018). [DOI]“Density functional theory study of thermodynamic and kinetic isotope effects of H2/D2 dissociative adsorption on transition metals”, Y. Bai, B. W. J. Chen, G. Peng, and M. Mavrikakis, Catalysis Science and Technology 8, 3321 (2018). [DOI]“Atomic and Molecular Adsorption on Cu(111)”, L. Xu, J. Lin, Y. Bai, and M. Mavrikakis, Topics in Catalysis 61, 736 (2018). [DOI]“Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups”, H. Yu, T. Szilvási, P. Rai, R. J. Twieg, M. Mavrikakis, and N. Abbott, Advanced Functional Materials 28, 1703581 (2018). [DOI]“The Role of Anions in Adsorbate-induced Anchoring Transitions of Liquid Crystals on Surfaces with Discrete Cation Binding Sites”, T. Szilvási, N. Bao, H. Yu, R. Twieg, M. Mavrikakis, and N. Abbott, Soft Matter 14, 797 (2018). [DOI]“Atomic and molecular adsorption on Fe(110)”, L. Xu, D. Kirvassilis, Y. Bai, and M. Mavrikakis, Surface Science 667, 54 (2018). [DOI]“Facile Synthesis of Ru-Based Octahedral Nanocages with Ultrathin Walls in a Face-Centered Cubic Structure”, M. Zhao, A. O. Elnabawy, M. Vara, L. Xu, Z. D. Hood, X. Yang, K. D. Gilroy, L. Figueroa-Cosme, M. Chi, M. Mavrikakis, and Y. Xia, Chemistry of Materials 29, 9227 (2017). [DOI]“Toward Rational Nanoparticle Synthesis: Predicting Surface Intermixing in Bimetallic Alloy Nanocatalysts”, L. T. Roling and M. Mavrikakis, Nanoscale 9, 15005 (2017). [DOI]“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]“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]“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]“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]“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]“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]“Density functional theory studies of HCOOH decomposition on Pd(111)”, J. Scaranto, and M. Mavrikakis Surface Science 650, 111 (2016). [DOI]“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]“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]“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]“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]“HCOOH decomposition on Pt(111): A DFT study”, J. Scaranto, and M. Mavrikakis Surface Science 648, 201 (2016). [DOI]“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]“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]“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](Feature Article Cover Page image)
“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]“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]“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]“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]Read a commentary paper on publication # 144 by Prof. P. Strasser
“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]“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]“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]“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]“Adsorbate Diffusion on Transition Metal Nanoparticles”, G. Peng and M. Mavrikakis, Nano Letters 15, 629 (2015). [DOI]“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]“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)“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)“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]
“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]“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]
“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]“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]“Atomic and Molecular Adsorption on Re(0001)”, K. Hahn, M. Mavrikakis, Topics in Catalysis 57, 54 (2014). [DOI]“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]“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]“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]“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]“Atomic and Molecular Adsorption on Ru(0001)”, J. A. Herron, S. Tonelli, M. Mavrikakis, Surface Science 614, 64 (2013). [DOI]“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]“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]“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]“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]“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]“Atomic and Molecular Adsorption on Pd(111)”, J. A. Herron, S. Tonelli, M. Mavrikakis, Surface Science 606, 1670 (2012). [DOI]“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]“CO2 Hydrogenation to Formic Acid on Ni(110)”, G. Peng, S. J. Sibener, G. C. Schatz, M. Mavrikakis, Surface Science 606, 1050 (2012). [DOI]“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]“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]“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“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]“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]“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]“Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation”, L. C. Grabow, M. Mavrikakis, ACS Catalysis 1, 365 (2011). [DOI]“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]“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]“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]“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]
“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]“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]“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]“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]“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]“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]“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]“Structure Sensitivity of Methanol Electrooxidation on Transition Metals”, P. Ferrin, M. Mavrikakis, Journal of the American Chemical Society 131, 14381 (2009). [DOI]“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]“Weak Molecular Chemisorption of N2/Pt(111)”, L. W. Bruch, R. P. Nabar, M. Mavrikakis, Journal of Physics-Condensed Matter 21, 264009 (2009). [DOI]“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]“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]“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]“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]“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]“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“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.“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]
“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]“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]“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]“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]