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Manos Mavrikakis - Publications

Affiliations: 
Chemical and Biological Engineering University of Wisconsin, Madison, Madison, WI 
Area:
Computational Surface Science and Catalysis
Website:
https://directory.engr.wisc.edu/che/faculty/mavrikakis_manos
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240 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Xu L, Mavrikakis M. Adsorbate-Induced Adatom Formation on Lithium, Iron, Cobalt, Ruthenium, and Rhenium Surfaces. Jacs Au. 3: 2216-2225. PMID 37654598 DOI: 10.1021/jacsau.3c00256  0.309
2023 Xu L, Papanikolaou KG, Lechner BAJ, Je L, Somorjai GA, Salmeron M, Mavrikakis M. Formation of active sites on transition metals through reaction-driven migration of surface atoms. Science (New York, N.Y.). 380: 70-76. PMID 37023183 DOI: 10.1126/science.add0089  0.773
2023 Xu P, von Rueden AD, Schimmenti R, Mavrikakis M, Suntivich J. Optical method for quantifying the potential of zero charge at the platinum-water electrochemical interface. Nature Materials. PMID 36781952 DOI: 10.1038/s41563-023-01474-8  0.739
2022 Gao Y, Yang Y, Schimmenti R, Murray E, Peng H, Wang Y, Ge C, Jiang W, Wang G, DiSalvo FJ, Muller DA, Mavrikakis M, Xiao L, Abruña HD, Zhuang L. A completely precious metal-free alkaline fuel cell with enhanced performance using a carbon-coated nickel anode. Proceedings of the National Academy of Sciences of the United States of America. 119: e2119883119. PMID 35312369 DOI: 10.1073/pnas.2119883119  0.772
2022 Yang Y, Peltier CR, Zeng R, Schimmenti R, Li Q, Huang X, Yan Z, Potsi G, Selhorst R, Lu X, Xu W, Tader M, Soudackov AV, Zhang H, Krumov M, ... ... Mavrikakis M, et al. Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies. Chemical Reviews. PMID 35133808 DOI: 10.1021/acs.chemrev.1c00331  0.77
2022 Shi Y, Schimmenti R, Zhu S, Venkatraman K, Chen R, Chi M, Shao M, Mavrikakis M, Xia Y. Solution-Phase Synthesis of PdH Nanocubes with Enhanced Stability and Activity toward Formic Acid Oxidation. Journal of the American Chemical Society. PMID 35108015 DOI: 10.1021/jacs.1c10199  0.768
2021 Zhu J, Lang X, Lyu Z, Xie M, Chen R, Jin W, Mavrikakis M, Xia Y. Janus Nanocages of Platinum-Group Metals and Their Use as Effective Dual-Electrocatalysts. Angewandte Chemie (International Ed. in English). PMID 33600031 DOI: 10.1002/anie.202102275  0.313
2021 Tacey SA, Chen BW, Szilvási T, Mavrikakis M. An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfaces Computational Materials Science. 186: 110010. DOI: 10.1016/J.Commatsci.2020.110010  0.376
2021 Schimmenti R, Mavrikakis M. HCOOH Decomposition on Sub-Nanometer Pd6 Cluster Catalysts: The Effect of Defective Boron Nitride Supports Through First Principles Applied Catalysis B: Environmental. 280: 119392. DOI: 10.1016/J.Apcatb.2020.119392  0.761
2020 Bhandari S, Rangarajan S, Mavrikakis M. Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the Nature of the Active Site in Catalysis. Accounts of Chemical Research. PMID 32869965 DOI: 10.1021/Acs.Accounts.0C00340  0.639
2020 Salazar N, Rangarajan S, Rodríguez-Fernández J, Mavrikakis M, Lauritsen JV. Site-dependent reactivity of MoS nanoparticles in hydrodesulfurization of thiophene. Nature Communications. 11: 4369. PMID 32868769 DOI: 10.1038/S41467-020-18183-4  0.553
2020 Lopes PP, Li D, Lv H, Wang C, Tripkovic D, Zhu Y, Schimmenti R, Daimon H, Kang Y, Snyder J, Becknell N, More KL, Strmcnik D, Markovic NM, Mavrikakis M, et al. Author Correction: Eliminating dissolution of platinum-based electrocatalysts at the atomic scale. Nature Materials. PMID 32724187 DOI: 10.1038/S41563-020-0782-9  0.734
2020 Lopes PP, Li D, Lv H, Wang C, Tripkovic D, Zhu Y, Schimmenti R, Daimon H, Kang Y, Snyder J, Becknell N, More KL, Strmcnik D, Markovic NM, Mavrikakis M, et al. Eliminating dissolution of platinum-based electrocatalysts at the atomic scale. Nature Materials. PMID 32690912 DOI: 10.1038/S41563-020-0735-3  0.788
2020 Gold J, Szilvási T, Abbott NL, Mavrikakis M. Binding of Organophosphorus Nerve Agents and Their Simulants to Metal Salts. Acs Applied Materials & Interfaces. PMID 32506901 DOI: 10.1021/Acsami.0C05777  0.304
2020 Yang F, Elnabawy AO, Schimmenti R, Song P, Wang J, Peng Z, Yao S, Deng R, Song S, Lin Y, Mavrikakis M, Xu W. Author Correction: Bismuthene for highly efficient carbon dioxide electroreduction reaction. Nature Communications. 11: 2352. PMID 32376897 DOI: 10.1038/S41467-020-16260-2  0.732
2020 Yang F, Elnabawy AO, Schimmenti R, Song P, Wang J, Peng Z, Yao S, Deng R, Song S, Lin Y, Mavrikakis M, Xu W. Bismuthene for highly efficient carbon dioxide electroreduction reaction. Nature Communications. 11: 1088. PMID 32107389 DOI: 10.1038/S41467-020-14914-9  0.775
2020 Demir B, Kropp T, Rivera-Dones KR, Gilcher EB, Huber GW, Mavrikakis M, Dumesic JA. A self-adjusting platinum surface for acetone hydrogenation. Proceedings of the National Academy of Sciences of the United States of America. PMID 32005709 DOI: 10.1073/Pnas.1917110117  0.449
2020 Chen BWJ, Mavrikakis M. How coverage influences thermodynamic and kinetic isotope effects for H2/D2 dissociative adsorption on transition metals Catalysis Science & Technology. 10: 671-689. DOI: 10.1039/C9Cy02338K  0.355
2020 Bhandari S, Rangarajan S, Maravelias CT, Dumesic JA, Mavrikakis M. Reaction Mechanism of Vapor-Phase Formic Acid Decomposition over Platinum Catalysts: DFT, Reaction Kinetics Experiments, and Microkinetic Modeling Acs Catalysis. 10: 4112-4126. DOI: 10.1021/Acscatal.9B05424  0.701
2020 Chen BWJ, Mavrikakis M. Formic Acid: A Hydrogen-Bonding Cocatalyst for Formate Decomposition Acs Catalysis. 10812-10825. DOI: 10.1021/Acscatal.0C02902  0.344
2020 Rebarchik M, Bhandari S, Kropp T, Mavrikakis M. How Noninnocent Spectator Species Improve the Oxygen Reduction Activity of Single-Atom Catalysts: Microkinetic Models from First-Principles Calculations Acs Catalysis. 10: 9129-9135. DOI: 10.1021/Acscatal.0C01642  0.404
2020 Göltl F, Murray EA, Tacey SA, Rangarajan S, Mavrikakis M. Comparing the performance of density functionals in describing the adsorption of atoms and small molecules on Ni(111) Surface Science. 700: 121675. DOI: 10.1016/J.Susc.2020.121675  0.567
2020 Zhu J, Elnabawy AO, Lyu Z, Xie M, Murray EA, Chen Z, Jin W, Mavrikakis M, Xia Y. Facet-controlled Pt–Ir nanocrystals with substantially enhanced activity and durability towards oxygen reduction Materials Today. 35: 69-77. DOI: 10.1016/J.Mattod.2019.11.002  0.434
2020 Kropp T, Mavrikakis M. Effect of strain on the reactivity of graphene films Journal of Catalysis. 390: 67-71. DOI: 10.1016/J.Jcat.2020.07.030  0.34
2020 Liang Z, Song L, Elnabawy AO, Marinkovic N, Mavrikakis M, Adzic RR. Platinum and Palladium Monolayer Electrocatalysts for Formic Acid Oxidation Topics in Catalysis. 63: 742-749. DOI: 10.1007/S11244-020-01264-5  0.445
2020 Svenum I, Herron JA, Mavrikakis M, Venvik HJ. Pd3Ag(111) as a Model System for Hydrogen Separation Membranes: Combined Effects of CO Adsorption and Surface Termination on the Activation of Molecular Hydrogen Topics in Catalysis. 63: 750-761. DOI: 10.1007/S11244-020-01246-7  0.39
2020 Xu L, Bhandari S, Chen J, Glasgow J, Mavrikakis M. Chloroform Hydrodechlorination on Palladium Surfaces: A Comparative DFT Study on Pd(111), Pd(100), and Pd(211) Topics in Catalysis. 63: 762-776. DOI: 10.1007/S11244-019-01218-6  0.313
2019 Cao S, Yang M, Elnabawy AO, Trimpalis A, Li S, Wang C, Göltl F, Chen Z, Liu J, Shan J, Li M, Haas T, Chapman KW, Lee S, Allard LF, ... Mavrikakis M, et al. Single-atom gold oxo-clusters prepared in alkaline solutions catalyse the heterogeneous methanol self-coupling reactions. Nature Chemistry. PMID 31636391 DOI: 10.1038/S41557-019-0345-3  0.431
2019 Yu H, Szilvási T, Wang K, Gold JI, Bao N, Twieg RJ, Mavrikakis M, Abbott NL. Amplification of Elementary Surface Reaction Steps on Transition Metal Surfaces using Liquid Crystals: Dissociative Adsorption and Dehydrogenation. Journal of the American Chemical Society. PMID 31508958 DOI: 10.1021/Jacs.9B08057  0.403
2019 Lee S, Lee S, Gerceker D, Kumbhalkar MD, Wiaderek KM, Ball MR, Mavrikakis M, Dumesic JA, Winans RE. In situ, operando studies on the size and structure of supported Pt catalysts under supercritical conditions by simultaneous synchrotron-based X-ray techniques. Physical Chemistry Chemical Physics : Pccp. PMID 31114817 DOI: 10.1039/C9Cp00347A  0.396
2019 Zhu J, Chen Z, Xie M, Lyu Z, Chi M, Mavrikakis M, Jin W, Xia Y. Iridium-Based Cubic Nanocages with 1.1-nm-Thick-Walls: A Highly Efficient and Durable Electrocatalyst for Water Oxidation in an Acidic Medium. Angewandte Chemie (International Ed. in English). PMID 30848853 DOI: 10.1002/Anie.201901732  0.33
2019 Li S, Singh S, Dumesic JA, Mavrikakis M. On the nature of active sites for formic acid decomposition on gold catalysts Catalysis Science & Technology. 9: 2836-2848. DOI: 10.1039/C9Cy00410F  0.356
2019 Zhong L, Kropp T, Baaziz W, Ersen O, Teschner D, Schlögl R, Mavrikakis M, Zafeiratos S. Correlation Between Reactivity and Oxidation State of Cobalt Oxide Catalysts for CO Preferential Oxidation Acs Catalysis. 9: 8325-8336. DOI: 10.1021/Acscatal.9B02582  0.408
2019 Chen BWJ, Stamatakis M, Mavrikakis M. Kinetic Isolation between Turnovers on Au18 Nanoclusters: Formic Acid Decomposition One Molecule at a Time Acs Catalysis. 9: 9446-9457. DOI: 10.1021/Acscatal.9B02167  0.374
2019 Cai H, Schimmenti R, Nie H, Mavrikakis M, Chin YC. Mechanistic Role of the Proton–Hydride Pair in Heteroarene Catalytic Hydrogenation Acs Catalysis. 9: 9418-9437. DOI: 10.1021/Acscatal.9B01997  0.773
2019 Kropp T, Mavrikakis M. Transition Metal Atoms Embedded in Graphene: How Nitrogen Doping Increases CO Oxidation Activity Acs Catalysis. 9: 6864-6868. DOI: 10.1021/Acscatal.9B01944  0.379
2019 Kropp T, Lu Z, Li Z, Chin YC, Mavrikakis M. Anionic Single-Atom Catalysts for CO Oxidation: Support-Independent Activity at Low Temperatures Acs Catalysis. 9: 1595-1604. DOI: 10.1021/Acscatal.8B03298  0.437
2019 Göltl F, Conrad S, Wolf P, Müller P, Love AM, Burt SP, Wheeler JN, Hamers RJ, Hummer K, Kresse G, Mavrikakis M, Hermans I. UV–Vis and Photoluminescence Spectroscopy to Understand the Coordination of Cu Cations in the Zeolite SSZ-13 Chemistry of Materials. 31: 9582-9592. DOI: 10.1021/Acs.Chemmater.9B01439  0.316
2019 Zhou M, Wang H, Elnabawy AO, Hood ZD, Chi M, Xiao P, Zhang Y, Mavrikakis M, Xia Y. Facile One-Pot Synthesis of Pd@Pt1L Octahedra with Enhanced Activity and Durability toward Oxygen Reduction Chemistry of Materials. 31: 1370-1380. DOI: 10.1021/Acs.Chemmater.8B04756  0.416
2019 Chen BW, Mavrikakis M. Effects of composition and morphology on the hydrogen storage properties of transition metal hydrides: Insights from PtPd nanoclusters Nano Energy. 63: 103858. DOI: 10.1016/J.Nanoen.2019.103858  0.36
2019 Kropp T, Mavrikakis M. Brønsted–Evans–Polanyi relation for CO oxidation on metal oxides following the Mars–van Krevelen mechanism Journal of Catalysis. 377: 577-581. DOI: 10.1016/J.Jcat.2019.08.002  0.372
2019 Ball MR, Rivera-Dones KR, Stangland E, Mavrikakis M, Dumesic JA. Hydrodechlorination of 1,2-dichloroethane on supported AgPd catalysts Journal of Catalysis. 370: 241-250. DOI: 10.1016/J.Jcat.2018.12.019  0.386
2018 Szilvási T, Bao N, Yu H, Twieg RJ, Mavrikakis M, Abbott NL. The role of anions in adsorbate-induced anchoring transitions of liquid crystals on surfaces with discrete cation binding sites. Soft Matter. PMID 29308482 DOI: 10.1039/C7Sm01981E  0.35
2018 Özer E, Sinev I, Mingers A, Araujo J, Kropp T, Mavrikakis M, Mayrhofer K, Cuenya B, Strasser P. Ir-Ni Bimetallic OER Catalysts Prepared by Controlled Ni Electrodeposition on Irpoly and Ir(111) Surfaces. 1: 165-186. DOI: 10.3390/surfaces1010013  0.304
2018 Elnabawy AO, Herron JA, Scaranto J, Mavrikakis M. Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study Journal of the Electrochemical Society. 165: J3109-J3121. DOI: 10.1149/2.0161815Jes  0.324
2018 Bai Y, Chen BWJ, Peng G, Mavrikakis M. Density functional theory study of thermodynamic and kinetic isotope effects of H2/D2 dissociative adsorption on transition metals Catalysis Science & Technology. 8: 3321-3335. DOI: 10.1039/C8Cy00878G  0.363
2018 Peng G, Gerceker D, Kumbhalkar M, Dumesic JA, Mavrikakis M. Ethane dehydrogenation on pristine and AlOx decorated Pt stepped surfaces Catalysis Science & Technology. 8: 2159-2174. DOI: 10.1039/C8Cy00398J  0.384
2018 Liu Y, Zhang L, Göltl F, Ball MR, Hermans I, Kuech TF, Mavrikakis M, Dumesic JA. Synthesis Gas Conversion over Rh-Mn-WxC/SiO2 Catalysts Prepared by Atomic Layer Deposition Acs Catalysis. 8: 10707-10720. DOI: 10.1021/Acscatal.8B02461  0.397
2018 Zhao M, Xu L, Vara M, Elnabawy AO, Gilroy KD, Hood ZD, Zhou S, Figueroa-Cosme L, Chi M, Mavrikakis M, Xia Y. Synthesis of Ru Icosahedral Nanocages with a Face-Centered-Cubic Structure and Evaluation of Their Catalytic Properties Acs Catalysis. 8: 6948-6960. DOI: 10.1021/Acscatal.8B00910  0.369
2018 Xu Z, Chada JP, Xu L, Zhao D, Rosenfeld DC, Rogers JL, Hermans I, Mavrikakis M, Huber GW. Ethylene Dimerization and Oligomerization to 1-Butene and Higher Olefins with Chromium-Promoted Cobalt on Carbon Catalyst Acs Catalysis. 8: 2488-2497. DOI: 10.1021/Acscatal.7B03205  0.377
2018 Xu L, Stangland EE, Mavrikakis M. Ethylene versus ethane: A DFT-based selectivity descriptor for efficient catalyst screening Journal of Catalysis. 362: 18-24. DOI: 10.1016/J.Jcat.2018.03.019  0.414
2018 Tacey SA, Szilvási T, Xu L, Schauer JJ, Mavrikakis M. The role of iron-oxide aerosols and sunlight in the atmospheric reduction of Hg(II) species: A DFT+U study Applied Catalysis B: Environmental. 234: 347-356. DOI: 10.1016/J.Apcatb.2018.04.049  0.342
2017 Roling LT, Mavrikakis M. Toward rational nanoparticle synthesis: predicting surface intermixing in bimetallic alloy nanocatalysts. Nanoscale. PMID 28959805 DOI: 10.1039/C7Nr04779G  0.384
2017 Vara M, Roling LT, Wang X, Elnabawy AO, Hood ZD, Chi M, Mavrikakis M, Xia Y. Understanding the Thermal Stability of Palladium-Platinum Core-Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory. Acs Nano. PMID 28485913 DOI: 10.1021/Acsnano.6B08692  0.35
2017 Bai Y, Mavrikakis M. Mechanistic Study of Nitric Oxide Reduction by Hydrogen on Pt(100) (I): A DFT Analysis of the Reaction Network. The Journal of Physical Chemistry. B. PMID 28481533 DOI: 10.1021/Acs.Jpcb.7B01115  0.418
2017 Gilroy KD, Elnabawy AO, Yang TH, Roling LT, Howe J, Mavrikakis M, Xia Y. On the Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra. Nano Letters. PMID 28448153 DOI: 10.1021/Acs.Nanolett.7B00844  0.341
2017 Liu Y, Göeltl F, Ro I, Ball MR, Sener C, Aragão IB, Zanchet D, Huber GW, Mavrikakis M, Dumesic JA. Synthesis Gas Conversion over Rh-Based Catalysts Promoted by Fe and Mn Acs Catalysis. 7: 4550-4563. DOI: 10.1021/Acscatal.7B01381  0.337
2017 Gerceker D, Motagamwala AH, Rivera-Dones KR, Miller JB, Huber GW, Mavrikakis M, Dumesic JA. Methane Conversion to Ethylene and Aromatics on PtSn Catalysts Acs Catalysis. 7: 2088-2100. DOI: 10.1021/Acscatal.6B02724  0.394
2017 Rangarajan S, Maravelias CT, Mavrikakis M. Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems The Journal of Physical Chemistry C. 121: 25847-25863. DOI: 10.1021/Acs.Jpcc.7B08089  0.675
2017 Zhao M, Elnabawy AO, Vara M, Xu L, Hood ZD, Yang X, Gilroy KD, Figueroa-Cosme L, Chi M, Mavrikakis M, Xia Y. Facile Synthesis of Ru-Based Octahedral Nanocages with Ultrathin Walls in a Face-Centered Cubic Structure Chemistry of Materials. 29: 9227-9237. DOI: 10.1021/Acs.Chemmater.7B03092  0.37
2017 Schimmenti R, Cortese R, Duca D, Mavrikakis M. Inside Back Cover: Boron Nitride‐supported Sub‐nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study (ChemCatChem 9/2017) Chemcatchem. 9: 1716-1716. DOI: 10.1002/Cctc.201700619  0.731
2017 Schimmenti R, Cortese R, Duca D, Mavrikakis M. Boron Nitride‐supported Sub‐nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study Chemcatchem. 9: 1610-1620. DOI: 10.1002/Cctc.201700248  0.774
2016 Yang X, Roling LT, Vara M, Elnabawy AO, Zhao M, Hood ZD, Bao S, Mavrikakis M, Xia Y. Synthesis and Characterization of Pt-Ag Alloy Nanocages with Enhanced Activity and Durability towards Oxygen Reduction. Nano Letters. PMID 27661446 DOI: 10.1021/Acs.Nanolett.6B03395  0.416
2016 Herron JA, Morikawa Y, Mavrikakis M. Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces. Proceedings of the National Academy of Sciences of the United States of America. PMID 27503889 DOI: 10.1073/Pnas.1604590113  0.368
2016 Xia Y, Zhao M, Figueroa-Cosme L, Elnabawy A, Vara MI, Yang X, Roling L, Chi M, Mavrikakis M. Synthesis and Characterization of Ru Cubic Nanocages with a Face-Centered-Cubic (fcc) Structure by Templating with Pd Nanocubes. Nano Letters. PMID 27458871 DOI: 10.1021/Acs.Nanolett.6B02795  0.381
2016 Tacey SA, Xu L, Mavrikakis M, Schauer JJ. Heterogeneous Reduction Pathways for Hg(II) Species on Dry Aerosols: A First-Principles Computational Study. The Journal of Physical Chemistry. A. PMID 27014805 DOI: 10.1021/Acs.Jpca.5B12769  0.375
2016 Plauck A, Stangland EE, Dumesic JA, Mavrikakis M. Active sites and mechanisms for H2O2 decomposition over Pd catalysts. Proceedings of the National Academy of Sciences of the United States of America. PMID 27006504 DOI: 10.1073/Pnas.1602172113  0.374
2016 Rangarajan S, Mavrikakis M. On the Preferred Active Sites of Promoted MoS2 for Hydrodesulfurization with Minimal Organonitrogen Inhibition Acs Catalysis. 7: 501-509. DOI: 10.1021/Acscatal.6B02735  0.576
2016 Rangarajan S, Mavrikakis M. DFT Insights into the Competitive Adsorption of Sulfur- and Nitrogen-Containing Compounds and Hydrocarbons on Co-Promoted Molybdenum Sulfide Catalysts Acs Catalysis. 6: 2904-2917. DOI: 10.1021/Acscatal.6B00058  0.562
2016 Yeh Y, Gorte RJ, Rangarajan S, Mavrikakis M. Adsorption of Small Alkanes on ZSM-5 Zeolites: Influence of Brønsted Sites The Journal of Physical Chemistry C. 120: 12132-12138. DOI: 10.1021/Acs.Jpcc.6B03855  0.55
2016 Merte LR, Bai Y, Zeuthen H, Peng G, Lammich L, Besenbacher F, Mavrikakis M, Wendt S. Identification of O-rich structures on platinum(111)-supported ultrathin iron oxide films Surface Science. DOI: 10.1016/J.Susc.2015.12.031  0.327
2016 Scaranto J, Mavrikakis M. HCOOH decomposition on Pt(111): A DFT study Surface Science. 648: 201-211. DOI: 10.1016/J.Susc.2015.09.023  0.445
2016 Herron JA, Mavrikakis M, Maravelias CT. Optimization Methods for Catalyst Design Computer-Aided Chemical Engineering. 38: 295-300. DOI: 10.1016/B978-0-444-63428-3.50054-0  0.593
2016 Li S, Scaranto J, Mavrikakis M. On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts Topics in Catalysis. 59: 1580-1588. DOI: 10.1007/S11244-016-0672-1  0.402
2016 Xu L, Yao X, Khan A, Mavrikakis M. Chloroform Hydrodechlorination over Palladium-Gold Catalysts: A First-Principles DFT Study Chemcatchem. 8: 1739-1746. DOI: 10.1002/Cctc.201600144  0.394
2015 Zhang L, Roling LT, Wang X, Vara M, Chi M, Liu J, Choi SI, Park J, Herron JA, Xie Z, Mavrikakis M, Xia Y. NANOCATALYSTS. Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets. Science (New York, N.Y.). 349: 412-6. PMID 26206931 DOI: 10.1126/Science.Aab0801  0.392
2015 Wang X, Choi SI, Roling LT, Luo M, Ma C, Zhang L, Chi M, Liu J, Xie Z, Herron JA, Mavrikakis M, Xia Y. Palladium-platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction. Nature Communications. 6: 7594. PMID 26133469 DOI: 10.1038/Ncomms8594  0.408
2015 Kudernatsch W, Peng G, Zeuthen H, Bai Y, Merte LR, Lammich L, Besenbacher F, Mavrikakis M, Wendt S. Direct Visualization of Catalytically Active Sites at the FeO-Pt(111) Interface. Acs Nano. PMID 26027877 DOI: 10.1021/Acsnano.5B02339  0.434
2015 Park J, Zhang L, Choi SI, Roling LT, Lu N, Herron JA, Xie S, Wang J, Kim MJ, Mavrikakis M, Xia Y. Atomic layer-by-layer deposition of platinum on palladium octahedra for enhanced catalysts toward the oxygen reduction reaction. Acs Nano. 9: 2635-47. PMID 25661922 DOI: 10.1021/Nn506387W  0.417
2015 Peng G, Mavrikakis M. Adsorbate diffusion on transition metal nanoparticles. Nano Letters. 15: 629-34. PMID 25422876 DOI: 10.1021/Nl504119J  0.357
2015 Herron JA, Ferrin P, Mavrikakis M. Electrocatalytic Oxidation of Ammonia on Transition-Metal Surfaces: A First-Principles Study Journal of Physical Chemistry C. 119: 14692-14701. DOI: 10.1021/Jp512981F  0.8
2015 Zhang Y, Yu J, Yeh YH, Gorte RJ, Rangarajan S, Mavrikakis M. An Adsorption Study of CH4 on ZSM-5, MOR, and ZSM-12 Zeolites Journal of Physical Chemistry C. 119: 28970-28978. DOI: 10.1021/Acs.Jpcc.5B09571  0.547
2015 Scaranto J, Mavrikakis M. Density functional theory studies of HCOOH decomposition on Pd(111) Surface Science. DOI: 10.1016/J.Susc.2015.11.020  0.392
2015 Celik FE, Mavrikakis M. Stability of surface and subsurface hydrogen on and in Au/Ni near-surface alloys Surface Science. DOI: 10.1016/J.Susc.2015.01.001  0.761
2015 Elnabawy AO, Rangarajan S, Mavrikakis M. Computational chemistry for NH3 synthesis, hydrotreating, and NOx reduction: Three topics of special interest to Haldor Topsøe Journal of Catalysis. 328: 26-35. DOI: 10.1016/J.Jcat.2014.12.018  0.534
2015 Herron JA, Ferrin P, Mavrikakis M. On the Structure Sensitivity of Dimethyl Ether Electro-oxidation on Eight FCC Metals: A First-Principles Study Topics in Catalysis. 58: 1159-1173. DOI: 10.1007/S11244-015-0495-5  0.784
2015 Alba-Rubio AC, Plauck A, Stangland EE, Mavrikakis M, Dumesic JA. Direct Synthesis of Hydrogen Peroxide Over Au–Pd Catalysts Prepared by Electroless Deposition Catalysis Letters. DOI: 10.1007/S10562-015-1621-5  0.402
2015 Choi SI, Herron JA, Scaranto J, Huang H, Wang Y, Xia X, Lv T, Park J, Peng HC, Mavrikakis M, Xia Y. A comprehensive study of formic acid oxidation on palladium nanocrystals with different types of facets and twin defects Chemcatchem. DOI: 10.1002/Cctc.201500094  0.327
2015 Rangarajan S, Mavrikakis M. Adsorption of nitrogen- and sulfur-containing compounds on NiMoS for hydrotreating reactions: A DFT and vdW-corrected study Aiche Journal. 61: 4036-4050. DOI: 10.1002/Aic.15025  0.583
2014 Yang M, Li S, Wang Y, Herron JA, Xu Y, Allard LF, Lee S, Huang J, Mavrikakis M, Flytzani-Stephanopoulos M. Catalytically active Au-O(OH)x-species stabilized by alkali ions on zeolites and mesoporous oxides. Science (New York, N.Y.). 346: 1498-501. PMID 25431492 DOI: 10.1126/Science.1260526  0.505
2014 Merte LR, Bechstein R, Peng G, Rieboldt F, Farberow CA, Zeuthen H, Knudsen J, Lægsgaard E, Wendt S, Mavrikakis M, Besenbacher F. Water clustering on nanostructured iron oxide films. Nature Communications. 5: 4193. PMID 24979078 DOI: 10.1038/Ncomms5193  0.307
2014 Xie S, Choi SI, Lu N, Roling LT, Herron JA, Zhang L, Park J, Wang J, Kim MJ, Xie Z, Mavrikakis M, Xia Y. Atomic layer-by-layer deposition of Pt on Pd nanocubes for catalysts with enhanced activity and durability toward oxygen reduction. Nano Letters. 14: 3570-6. PMID 24797061 DOI: 10.1021/Nl501205J  0.43
2014 Kyriakou G, Davidson ER, Peng G, Roling LT, Singh S, Boucher MB, Marcinkowski MD, Mavrikakis M, Michaelides A, Sykes EC. Significant quantum effects in hydrogen activation. Acs Nano. 8: 4827-35. PMID 24684530 DOI: 10.1021/Nn500703K  0.357
2014 Chen C, Kang Y, Huo Z, Zhu Z, Huang W, Xin HL, Snyder JD, Li D, Herron JA, Mavrikakis M, Chi M, More KL, Li Y, Markovic NM, Somorjai GA, et al. Highly crystalline multimetallic nanoframes with three-dimensional electrocatalytic surfaces. Science (New York, N.Y.). 343: 1339-43. PMID 24578531 DOI: 10.1126/Science.1249061  0.545
2014 Herron JA, Ferrin P, Mavrikakis M. First-principles mechanistic analysis of dimethyl ether electro-oxidation on monometallic single-crystal surfaces Journal of Physical Chemistry C. 118: 24199-24211. DOI: 10.1021/Jp505919X  0.775
2014 Herron JA, Scaranto J, Ferrin P, Li S, Mavrikakis M. Trends in formic acid decomposition on model transition metal surfaces: A density functional theory study Acs Catalysis. 4: 4434-4445. DOI: 10.1021/Cs500737P  0.777
2014 Farberow CA, Dumesic JA, Mavrikakis M. Density functional theory calculations and analysis of reaction pathways for reduction of nitric oxide by hydrogen on Pt(111) Acs Catalysis. 4: 3307-3319. DOI: 10.1021/Cs500668K  0.443
2014 Roling LT, Herron JA, Budiman W, Ferrin P, Mavrikakis M. Dimethyl ether electro-oxidation on platinum surfaces Catalysis and Reaction Engineering Division 2014 - Core Programming Area At the 2014 Aiche Annual Meeting. 1: 169. DOI: 10.1016/J.Nanoen.2016.02.041  0.79
2014 Herron JA, Mavrikakis M. On the composition of bimetallic near-surface alloys in the presence of oxygen and carbon monoxide Catalysis Communications. 52: 65-71. DOI: 10.1016/J.Catcom.2013.10.021  0.42
2014 Santiago-Rodríguez Y, Herron JA, Curet-Arana MC, Mavrikakis M. Atomic and molecular adsorption on Au(111) Surface Science. 627: 57-69. DOI: 10.1007/S11244-018-0943-0  0.342
2014 Singh S, Li S, Carrasquillo-Flores R, Alba-Rubio AC, Dumesic JA, Mavrikakis M. Formic acid decomposition on Au catalysts: DFT, microkinetic modeling, and reaction kinetics experiments Aiche Journal. 60: 1303-1319. DOI: 10.1002/Aic.14401  0.456
2014 Rubert-Nason P, Mavrikakis M, Maravelias CT, Grabow LC, Biegler LT. Advanced solution methods for microkinetic models of catalytic reactions: A methanol synthesis case study Aiche Journal. 60: 1336-1346. DOI: 10.1002/Aic.14322  0.779
2013 O'Neill BJ, Jackson DH, Crisci AJ, Farberow CA, Shi F, Alba-Rubio AC, Lu J, Dietrich PJ, Gu X, Marshall CL, Stair PC, Elam JW, Miller JT, Ribeiro FH, Voyles PM, ... ... Mavrikakis M, et al. Stabilization of copper catalysts for liquid-phase reactions by atomic layer deposition. Angewandte Chemie (International Ed. in English). 52: 13808-12. PMID 24282166 DOI: 10.1002/Anie.201308245  0.605
2013 Xia X, Choi SI, Herron JA, Lu N, Scaranto J, Peng HC, Wang J, Mavrikakis M, Kim MJ, Xia Y. Facile synthesis of palladium right bipyramids and their use as seeds for overgrowth and as catalysts for formic acid oxidation. Journal of the American Chemical Society. 135: 15706-9. PMID 24106797 DOI: 10.1021/Ja408018J  0.319
2013 Zeuthen H, Kudernatsch W, Peng G, Merte LR, Ono LK, Lammich L, Bai Y, Grabow LC, Mavrikakis M, Wendt S, Besenbacher F. Structure of stoichiometric and oxygen-rich ultrathin FeO(111) Films grown on Pd(111) Journal of Physical Chemistry C. 117: 15155-15163. DOI: 10.1021/Jp4042638  0.622
2013 Yang L, Vukmirovic MB, Su D, Sasaki K, Herron JA, Mavrikakis M, Liao S, Adzic RR. Tuning the catalytic activity of Ru@Pt core-shell nanoparticles for the oxygen reduction reaction by varying the shell thickness Journal of Physical Chemistry C. 117: 1748-1753. DOI: 10.1021/Jp309990E  0.429
2013 Farberow CA, Godinez-Garcia A, Peng G, Perez-Robles JF, Solorza-Feria O, Mavrikakis M. Mechanistic studies of oxygen reduction by hydrogen on PdAg(110) Acs Catalysis. 3: 1622-1632. DOI: 10.1021/Cs4002699  0.445
2013 Carrasquillo-Flores R, Gallo JMR, Hahn K, Dumesic JA, Mavrikakis M. Density functional theory and reaction kinetics studies of the water-gas shift reaction on Pt-Re catalysts Chemcatchem. 5: 3690-3699. DOI: 10.1002/Cctc.201300365  0.458
2013 O'Neill BJ, Jackson DHK, Crisci AJ, Farberow CA, Shi F, Alba-Rubio AC, Lu J, Dietrich PJ, Gu X, Marshall CL, Stair PC, Elam JW, Miller JT, Ribeiro FH, Voyles PM, ... ... Mavrikakis M, et al. Back Cover: Stabilization of Copper Catalysts for Liquid-Phase Reactions by Atomic Layer Deposition (Angew. Chem. Int. Ed. 51/2013) Angewandte Chemie International Edition. 52: 13824-13824. DOI: 10.1002/Anie.201309934  0.562
2013 O'Neill BJ, Jackson DHK, Crisci AJ, Farberow CA, Shi F, Alba-Rubio AC, Lu J, Dietrich PJ, Gu X, Marshall CL, Stair PC, Elam JW, Miller JT, Ribeiro FH, Voyles PM, ... ... Mavrikakis M, et al. Rücktitelbild: Stabilization of Copper Catalysts for Liquid-Phase Reactions by Atomic Layer Deposition (Angew. Chem. 51/2013) Angewandte Chemie. 125: 14068-14068. DOI: 10.1002/Ange.201309934  0.561
2013 O'Neill BJ, Jackson D, Crisci AJ, Farberow CA, Lu J, Dietrich PJ, Li T, Ribeiro FH, Miller JT, Winans R, Elam JW, Greeley J, Mavrikakis M, Scott SL, Kuech TF, et al. Stabilization by atomic layer deposition of copper catalysts for liquid phase reactions Fuels and Petrochemicals Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 130-131.  0.507
2013 O'Neill BJ, Jackson D, Crisci AJ, Farberow CA, Lu J, Dietrich PJ, Li T, Ribeiro FH, Miller JT, Winans R, Elam JW, Greeley J, Mavrikakis M, Scott SL, Kuech TF, et al. Stabilization by atomic layer deposition of copper catalysts for liquid phase reactions Fuels and Petrochemicals Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 130-131.  0.507
2012 Jewell AD, Peng G, Mattera MF, Lewis EA, Murphy CJ, Kyriakou G, Mavrikakis M, Sykes EC. Quantum tunneling enabled self-assembly of hydrogen atoms on Cu(111). Acs Nano. 6: 10115-21. PMID 23030641 DOI: 10.1021/Nn3038463  0.325
2012 Merte LR, Peng G, Bechstein R, Rieboldt F, Farberow CA, Grabow LC, Kudernatsch W, Wendt S, Lægsgaard E, Mavrikakis M, Besenbacher F. Water-mediated proton hopping on an iron oxide surface. Science (New York, N.Y.). 336: 889-93. PMID 22605771 DOI: 10.1126/Science.1219468  0.665
2012 Rossmeisl J, Ferrin P, Tritsaris GA, Nilekar AU, Koh S, Bae SE, Brankovic SR, Strasser P, Mavrikakis M. Bifunctional anode catalysts for direct methanol fuel cells Energy and Environmental Science. 5: 8335-8342. DOI: 10.1039/C2Ee21455E  0.818
2012 Peng G, Sibener SJ, Schatz GC, Ceyer ST, Mavrikakis M. CO 2 hydrogenation to formic acid on Ni(111) Journal of Physical Chemistry C. 116: 3001-3006. DOI: 10.1021/Jp210408X  0.408
2012 Karan HI, Sasaki K, Kuttiyiel K, Farberow CA, Mavrikakis M, Adzic RR. Catalytic activity of platinum monolayer on iridium and rhenium alloy nanoparticles for the oxygen reduction reaction Acs Catalysis. 2: 817-824. DOI: 10.1021/Cs200592X  0.436
2012 Herron JA, Tonelli S, Mavrikakis M. Atomic and molecular adsorption on Pd(111) Surface Science. 606: 1670-1679. DOI: 10.1016/J.Susc.2012.07.003  0.328
2012 Peng G, Sibener SJ, Schatz GC, Mavrikakis M. CO 2 hydrogenation to formic acid on Ni(110) Surface Science. 606: 1050-1055. DOI: 10.1016/J.Susc.2012.02.027  0.415
2012 Ferrin P, Kandoi S, Nilekar AU, Mavrikakis M. Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study Surface Science. 606: 679-689. DOI: 10.1016/J.Susc.2011.12.017  0.806
2012 Svenum IH, Herron JA, Mavrikakis M, Venvik HJ. Adsorbate-induced segregation in a PdAg membrane model system: Pd 3Ag(1 1 1) Catalysis Today. 193: 111-119. DOI: 10.1016/J.Cattod.2012.01.007  0.375
2012 Herron JA, Jiao J, Hahn K, Peng G, Adzic RR, Mavrikakis M. Oxygen Reduction Reaction on Platinum-Terminated "Onion-structured" Alloy Catalysts Electrocatalysis. 3: 192-202. DOI: 10.1007/S12678-012-0087-0  0.463
2012 Kulkarni A, Bedolla-Pantoja M, Singh S, Lobo RF, Mavrikakis M, Barteau MA. Reactions of propylene oxide on supported silver catalysts: Insights into pathways limiting epoxidation selectivity Topics in Catalysis. 55: 3-12. DOI: 10.1007/S11244-012-9773-7  0.584
2011 Nilekar AU, Sasaki K, Farberow CA, Adzic RR, Mavrikakis M. Mixed-metal Pt monolayer electrocatalysts with improved CO tolerance. Journal of the American Chemical Society. 133: 18574-6. PMID 22026558 DOI: 10.1021/Ja2072675  0.794
2011 Merte LR, Knudsen J, Eichhorn FM, Porsgaard S, Zeuthen H, Grabow LC, Lægsgaard E, Bluhm H, Salmeron M, Mavrikakis M, Besenbacher F. CO-induced embedding of Pt adatoms in a partially reduced FeO(x) film on Pt(111). Journal of the American Chemical Society. 133: 10692-5. PMID 21707081 DOI: 10.1021/Ja2015923  0.658
2011 Merte LR, Grabow LC, Peng G, Knudsen J, Zeuthen H, Kudernatsch W, Porsgaard S, Laegsgaard E, Mavrikakis M, Besenbacher F. Tip-dependent scanning tunneling microscopy imaging of ultrathin FeO films on Pt(111) Journal of Physical Chemistry C. 115: 2089-2099. DOI: 10.1021/Jp109581A  0.617
2011 Peng G, Seo S, Ruther RE, Hamers RJ, Mavrikakis M, Evans PG. Molecular-scale structure of a nitrobenzene monolayer on Si(001) Journal of Physical Chemistry C. 115: 3011-3017. DOI: 10.1021/Jp1069434  0.315
2011 Kandoi S, Greeley J, Simonetti D, Shabaker J, Dumesic JA, Mavrikakis M. Reaction kinetics of ethylene glycol reforming over platinum in the vapor versus aqueous phases Journal of Physical Chemistry C. 115: 961-971. DOI: 10.1021/Jp104136S  0.583
2011 Grabow LC, Mavrikakis M. Mechanism of methanol synthesis on cu through CO 2 and CO hydrogenation Acs Catalysis. 1: 365-384. DOI: 10.1021/Cs200055D  0.683
2011 Madon RJ, Braden D, Kandoi S, Nagel P, Mavrikakis M, Dumesic JA. Microkinetic analysis and mechanism of the water gas shift reaction over copper catalysts Journal of Catalysis. 281: 1-11. DOI: 10.1016/J.Jcat.2011.03.008  0.435
2011 Rubert-Nason PB, Grabow LC, Biegler L, Mavrikakis M, Maravelias C. Optimization-based methods for catalysis: developing improved approaches to microkinetic modeling and their application to methanol synthesis 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings.  0.749
2010 Zhai Y, Pierre D, Si R, Deng W, Ferrin P, Nilekar AU, Peng G, Herron JA, Bell DC, Saltsburg H, Mavrikakis M, Flytzani-Stephanopoulos M. Alkali-stabilized Pt-OHx species catalyze low-temperature water-gas shift reactions. Science (New York, N.Y.). 329: 1633-6. PMID 20929844 DOI: 10.1126/Science.1192449  0.814
2010 Knudsen J, Merte LR, Peng G, Vang RT, Resta A, Laegsgaard E, Andersen JN, Mavrikakis M, Besenbacher F. Low-temperature CO oxidation on Ni(111) and on a Au/Ni(111) surface alloy. Acs Nano. 4: 4380-7. PMID 20731424 DOI: 10.1021/Nn101241C  0.374
2010 Nilekar AU, Alayoglu S, Eichhorn B, Mavrikakis M. Preferential CO oxidation in hydrogen: reactivity of core-shell nanoparticles. Journal of the American Chemical Society. 132: 7418-28. PMID 20459102 DOI: 10.1021/Ja101108W  0.769
2010 Peng G, Merte LR, Knudsen J, Vang RT, Lægsgaard E, Besenbacher F, Mavrikakis M. On the mechanism of low-temperature CO oxidation on Ni(111) and NiO(111) surfaces Journal of Physical Chemistry C. 114: 21579-21584. DOI: 10.1021/Jp108475E  0.35
2010 Ojeda M, Li A, Nabar R, Nilekar AU, Mavrikakis M, Iglesia E. Kinetically relevant steps and H2/D2 isotope effects in fischer-tropsch synthesis on Fe and Co catalysts Journal of Physical Chemistry C. 114: 19761-19770. DOI: 10.1021/Jp1073076  0.789
2010 Ford DC, Nilekar AU, Xu Y, Mavrikakis M. Partial and complete reduction of O2 by hydrogen on transition metal surfaces Surface Science. 604: 1565-1575. DOI: 10.1016/J.Susc.2010.05.026  0.812
2010 Knudsen J, Merte LR, Grabow LC, Eichhorn FM, Porsgaard S, Zeuthen H, Vang RT, Lægsgaard E, Mavrikakis M, Besenbacher F. Reduction of FeO/Pt(1 1 1) thin films by exposure to atomic hydrogen Surface Science. 604: 11-20. DOI: 10.1016/J.Susc.2009.10.008  0.645
2010 Ojeda M, Nabar R, Nilekar AU, Ishikawa A, Mavrikakis M, Iglesia E. CO activation pathways and the mechanism of Fischer-Tropsch synthesis Journal of Catalysis. 272: 287-297. DOI: 10.1016/J.Jcat.2010.04.012  0.816
2010 Knupp SL, Vukmirovic MB, Haldar P, Herron JA, Mavrikakis M, Adzic RR. Platinum Monolayer Electrocatalysts for O 2 Reduction: Pt Monolayer on Carbon-Supported PdIr Nanoparticles Electrocatalysis. 1: 213-223. DOI: 10.1007/S12678-010-0028-8  0.375
2010 Kandoi S, Ferrin PA, Mavrikakis M. Hydrogen on and in selected overlayer near-surface alloys and the effect of subsurface hydrogen on the reactivity of alloy surfaces Topics in Catalysis. 53: 384-392. DOI: 10.1007/S11244-010-9444-5  0.774
2010 Grabow LC, Mavrikakis M. On the reaction mechanism of methanol synthesis and the water gas shift reaction on Cu 10aiche - 2010 Aiche Annual Meeting, Conference Proceedings.  0.594
2010 Grabow LC, Mavrikakis M. On the reaction mechanism of methanol synthesis and water-gas-shift on Cu Acs National Meeting Book of Abstracts.  0.587
2009 Bruch LW, Nabar RP, Mavrikakis M. Weak molecular chemisorption of  N(2)/Pt(111). Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 264009. PMID 21828457 DOI: 10.1088/0953-8984/21/26/264009  0.713
2009 Ferrin P, Mavrikakis M. Structure sensitivity of methanol electrooxidation on transition metals. Journal of the American Chemical Society. 131: 14381-9. PMID 19754206 DOI: 10.1021/Ja904010U  0.787
2009 Zhou WP, Yang X, Vukmirovic MB, Koel BE, Jiao J, Peng G, Mavrikakis M, Adzic RR. Improving electrocatalysts for O(2) reduction by fine-tuning the Pt-support interaction: Pt monolayer on the surfaces of a Pd(3)Fe(111) single-crystal alloy. Journal of the American Chemical Society. 131: 12755-62. PMID 19722720 DOI: 10.1021/Ja9039746  0.344
2009 Ferrin P, Simonetti D, Kandoi S, Kunkes E, Dumesic JA, Nørskov JK, Mavrikakis M. Modeling ethanol decomposition on transition metals: a combined application of scaling and Brønsted-Evans-Polanyi relations. Journal of the American Chemical Society. 131: 5809-15. PMID 19334787 DOI: 10.1021/Ja8099322  0.799
2009 Rempel J, Greeley J, Hansen LB, Nielsen OH, Nørskov JK, Mavrikakis M. Step effects on the dissociation of NO on close-packed rhodium surfaces Journal of Physical Chemistry C. 113: 20623-20631. DOI: 10.1021/Jp904108C  0.663
2009 Ferrin PA, Kandoi S, Zhang J, Adzic R, Mavrikakis M. Molecular and atomic hydrogen interactions with au-ir near-surface alloys Journal of Physical Chemistry C. 113: 1411-1417. DOI: 10.1021/Jp804758Y  0.758
2009 Grabow LC, Uhlrich JJ, Kuech TF, Mavrikakis M. Effectiveness of in situ NH3 annealing treatments for the removal of oxygen from GaN surfaces Surface Science. 603: 387-399. DOI: 10.1016/J.Susc.2008.11.029  0.668
2009 Merte LR, Knudsen J, Grabow LC, Vang RT, Lægsgaard E, Mavrikakis M, Besenbacher F. Correlating STM contrast and atomic-scale structure by chemical modification: Vacancy dislocation loops on FeO/Pt(1 1 1) Surface Science. 603: L15-L18. DOI: 10.1016/J.Susc.2008.11.014  0.666
2009 Nilekar AU, Ruban AV, Mavrikakis M. Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys Surface Science. 603: 91-96. DOI: 10.1016/J.Susc.2008.10.029  0.775
2009 Herron JA, Ferrin P, Nilekar AU, Han MS, Mavrikakis M, Kandoi S. A first principles study of ammonia electro-oxidation for fuel cell applications Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche.  0.712
2008 Grabow LC, Mavrikakis M. Nanocatalysis beyond the gold-rush era. Angewandte Chemie (International Ed. in English). 47: 7390-2. PMID 18688901 DOI: 10.1002/Anie.200802592  0.593
2008 Alayoglu S, Nilekar AU, Mavrikakis M, Eichhorn B. Ru-Pt core-shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen. Nature Materials. 7: 333-8. PMID 18345004 DOI: 10.1038/Nmat2156  0.774
2008 Gokhale AA, Dumesic JA, Mavrikakis M. On the mechanism of low-temperature water gas shift reaction on copper. Journal of the American Chemical Society. 130: 1402-14. PMID 18181624 DOI: 10.1021/Ja0768237  0.407
2008 Seo S, Grabow LC, Mavrikakis M, Hamers RJ, Thompson NJ, Evans PG. Molecular-scale structural distortion near vacancies in pentacene Applied Physics Letters. 92. DOI: 10.1063/1.2913687  0.613
2008 Grabow LC, Gokhale AA, Evans ST, Dumesic JA, Mavrikakis M. Mechanism of the water gas shift reaction on Pt: First principles, experiments, and microkinetic modeling Journal of Physical Chemistry C. 112: 4608-4617. DOI: 10.1021/Jp7099702  0.685
2008 Ferrin P, Nilekar AU, Greeley J, Mavrikakis M, Rossmeisl J. Reactivity descriptors for direct methanol fuel cell anode catalysts Surface Science. 602: 3424-3431. DOI: 10.1016/J.Susc.2008.08.011  0.823
2008 Nilekar AU, Mavrikakis M. Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces Surface Science. 602: L89-L94. DOI: 10.1016/J.Susc.2008.05.036  0.803
2008 Schumacher N, Andersson K, Grabow LC, Mavrikakis M, Nerlov J, Chorkendorff I. Interaction of carbon dioxide with Cu overlayers on Pt(1 1 1) Surface Science. 602: 702-711. DOI: 10.1016/J.Susc.2007.11.030  0.654
2008 Uhlrich JJ, Grabow LC, Mavrikakis M, Kuech TF. Practical surface treatments and surface chemistry of n-type and p-type GaN Journal of Electronic Materials. 37: 439-447. DOI: 10.1007/S11664-007-0348-5  0.642
2008 Grabow L, Mavrikakis M. Nanokatalyse: Nach dem Goldrausch Angewandte Chemie. 120: 7500-7502. DOI: 10.1002/Ange.200802592  0.565
2008 Ferrin PA, Simonetti D, Kandoi S, Dumesic JA, Norskov JK, Mavrikakis M. Catalytic ethanol decomposition: An example for reducing brute-force DFT work for surface reactivity by combining BEP and scaling relations Aiche 100 - 2008 Aiche Annual Meeting, Conference Proceedings.  0.71
2008 Ferrin PA, Nilekar AU, Greeley J, Rossmeisl J, Mavrikakis M. Reactivity descriptors for improving direct methanol fuel cell anode catalysis Aiche 100 - 2008 Aiche Annual Meeting, Conference Proceedings.  0.775
2007 Mitsui T, Fomin E, Ogletree DF, Salmeron M, Nilekar AU, Mavrikakis M. Manipulation and patterning of the surface hydrogen concentration on Pd(111) by electric fields. Angewandte Chemie (International Ed. in English). 46: 5757-61. PMID 17585396 DOI: 10.1002/Anie.200604498  0.772
2007 Knudsen J, Nilekar AU, Vang RT, Schnadt J, Kunkes EL, Dumesic JA, Mavrikakis M, Besenbacher F. A Cu/Pt near-surface alloy for water-gas shift catalysis. Journal of the American Chemical Society. 129: 6485-90. PMID 17469820 DOI: 10.1021/Ja0700855  0.794
2007 Xu Y, Marbach H, Imbihl R, Kevrekidis IG, Mavrikakis M. The effect of coadsorbed oxygen on the adsorption and diffusion of potassium on Rh(110): A first-principles study Journal of Physical Chemistry C. 111: 7446-7455. DOI: 10.1021/Jp070654V  0.463
2007 Greeley J, Mavrikakis M. On the role of subsurface oxygen and ethylenedioxy in ethylene epoxidation on silver Journal of Physical Chemistry C. 111: 7992-7999. DOI: 10.1021/Jp070490I  0.556
2007 Gokhale AA, Kuech TF, Mavrikakis M. A theoretical comparative study of the surfactant effect of Sb and Bi on GaN growth Journal of Crystal Growth. 303: 493-499. DOI: 10.1016/J.Jcrysgro.2007.01.012  0.329
2007 Vukmirovic MB, Zhang J, Sasaki K, Nilekar AU, Uribe F, Mavrikakis M, Adzic RR. Platinum monolayer electrocatalysts for oxygen reduction Electrochimica Acta. 52: 2257-2263. DOI: 10.1016/J.Electacta.2006.05.062  0.786
2007 Adzic RR, Zhang J, Sasaki K, Vukmirovic MB, Shao M, Wang JX, Nilekar AU, Mavrikakis M, Valerio JA, Uribe F. Platinum monolayer fuel cell electrocatalysts Topics in Catalysis. 46: 249-262. DOI: 10.1007/S11244-007-9003-X  0.787
2007 Nilekar AU, Xu Y, Zhang J, Vukmirovic MB, Sasaki K, Adzic RR, Mavrikakis M. Bimetallic and ternary alloys for improved oxygen reduction catalysis Topics in Catalysis. 46: 276-284. DOI: 10.1007/S11244-007-9001-Z  0.796
2007 Nabar R, McConnachie JM, Barckholtz TA, Mavrikakis M. Sulfur tolerance of bimetallic alloys: A density functional theory study Acs National Meeting Book of Abstracts.  0.663
2007 Grabow LC, Mavrikakis M. Microkinetic model on the basis of density functional theory results for methanol synthesis on Cu(111) 2007 Aiche Annual Meeting.  0.589
2007 Nilekar AU, Alayoglu S, Eichhorn B, Mavrikakis M. Ru@Pt core-shell nanocatalysts for enhanced Co-tolerant catalytic hydrogen activation 2007 Aiche Annual Meeting.  0.752
2007 Ferrin PA, Kandoi S, Zhang J, Adzic RR, Mavrikakis M. Near-surface alloys for hydrogen-based chemistry 2007 Aiche Annual Meeting.  0.73
2007 Nabar RP, Nilekar AU, Mavrikakis M, Ojeda M, Ishikawa A, Iglesia E. Mechanistic insights on Fischer-Tropsch synthesis 2007 Aiche Annual Meeting.  0.761
2007 Grabow LC, Uhlrich JJ, Kuech TF, Mavrikakis M. Towards a functional organic-inorganic semiconductor interface 2007 Aiche Annual Meeting.  0.535
2006 Mavrikakis M. Computational methods: a search engine for catalysts. Nature Materials. 5: 847-8. PMID 17077844 DOI: 10.1038/Nmat1767  0.335
2006 Nilekar AU, Greeley J, Mavrikakis M. A simple rule of thumb for diffusion on transition-metal surfaces. Angewandte Chemie (International Ed. in English). 45: 7046-9. PMID 17009349 DOI: 10.1002/Anie.200602223  0.78
2006 Grabow L, Xu Y, Mavrikakis M. Lattice strain effects on CO oxidation on Pt(111). Physical Chemistry Chemical Physics : Pccp. 8: 3369-74. PMID 16855712 DOI: 10.1039/B606131A  0.687
2006 Greeley J, Mavrikakis M. Near-surface alloys for hydrogen fuel cell applications Catalysis Today. 111: 52-58. DOI: 10.1016/J.Cattod.2005.10.009  0.623
2006 Kandoi S, Greeley J, Sanchez-Castillo MA, Evans ST, Gokhale AA, Dumesic JA, Mavrikakis M. Prediction of experimental methanol decomposition rates on platinum from first principles Topics in Catalysis. 37: 17-27. DOI: 10.1007/S11244-006-0001-1  0.588
2006 Grabow L, Mavrikakis M. An ab-initio study of methanol synthesis on Cu catalysts Aiche Annual Meeting, Conference Proceedings.  0.621
2006 Grabow L, Gokhale AA, Evans S, Dumesic JA, Mavrikakis M. First principles, experiments, and microkinetic modeling of the water-gas-shift reaction on Pt(111) Aiche Annual Meeting, Conference Proceedings.  0.609
2006 Ojeda M, Ishikawa A, Iglesia E, Nabar R, Mavrikakis M. Synthesis, activation, and mechanism of function for Fischer-Tropsch synthesis catalysts based on iron Aiche Annual Meeting, Conference Proceedings.  0.68
2006 Nabar R, Gokhale AA, Mavrikakis M. A theoretical comparative study of Fischer-Tropsch synthesis on Fe and Co surfaces Aiche Annual Meeting, Conference Proceedings.  0.672
2005 Greeley J, Mavrikakis M. Surface and subsurface hydrogen: adsorption properties on transition metals and near-surface alloys. The Journal of Physical Chemistry. B. 109: 3460-71. PMID 16851380 DOI: 10.1021/Jp046540Q  0.609
2005 Xu Y, Greeley J, Mavrikakis M. Effect of subsurface oxygen on the reactivity of the Ag(111) surface. Journal of the American Chemical Society. 127: 12823-7. PMID 16159275 DOI: 10.1021/Ja043727M  0.618
2005 Zhang J, Vukmirovic MB, Sasaki K, Nilekar AU, Mavrikakis M, Adzic RR. Mixed-metal pt monolayer electrocatalysts for enhanced oxygen reduction kinetics. Journal of the American Chemical Society. 127: 12480-1. PMID 16144382 DOI: 10.1021/Ja053695I  0.796
2005 Zhang J, Vukmirovic MB, Xu Y, Mavrikakis M, Adzic RR. Controlling the catalytic activity of platinum-monolayer electrocatalysts for oxygen reduction with different substrates. Angewandte Chemie (International Ed. in English). 44: 2132-5. PMID 15714453 DOI: 10.1002/Anie.200462335  0.474
2005 Gokhale AA, Kuech TF, Mavrikakis M. Surfactant effect of Sb on GaN growth Journal of Crystal Growth. 285: 146-155. DOI: 10.1016/J.Jcrysgro.2005.08.021  0.316
2005 Schumacher N, Boisen A, Dahl S, Gokhale AA, Kandoi S, Grabow LC, Dumesic JA, Mavrikakis M, Chorkendorff I. Trends in low-temperature water-gas shift reactivity on transition metals Journal of Catalysis. 229: 265-275. DOI: 10.1016/J.Jcat.2004.10.025  0.68
2005 Nilekar A, Xu Y, Zhang J, Vukmirovic MB, Adzic RR, Mavrikakis M. Experimental and theoretical studies of metal-supported Pt monolayer catalysts for the oxygen reduction reaction Aiche Annual Meeting, Conference Proceedings. 10619.  0.322
2004 Greeley J, Mavrikakis M. Alloy catalysts designed from first principles. Nature Materials. 3: 810-5. PMID 15502837 DOI: 10.1038/Nmat1223  0.625
2004 Greeley J, Krekelberg WP, Mavrikakis M. Strain-induced formation of subsurface species in transition metals. Angewandte Chemie (International Ed. in English). 43: 4296-300. PMID 15368376 DOI: 10.1002/Anie.200454062  0.506
2004 Xu Y, Ruban AV, Mavrikakis M. Adsorption and dissociation of O2 on Pt-Co and Pt-Fe alloys. Journal of the American Chemical Society. 126: 4717-25. PMID 15070391 DOI: 10.1021/Ja031701+  0.529
2004 Greeley J, Mavrikakis M. Competitive paths for methanol decomposition on Pt(111). Journal of the American Chemical Society. 126: 3910-9. PMID 15038745 DOI: 10.1021/Ja037700Z  0.565
2004 Liu ZY, Gokhale AA, Mavrikakis M, Saulys DA, Kuech TF. Modifications of the electronic structure of GaSb surface by chalcogen atoms: S, Se, and Te Journal of Applied Physics. 96: 4302-4307. DOI: 10.1063/1.1790572  0.356
2004 Krekelberg WP, Greeley J, Mavrikakis M. Atomic and molecular adsorption on Ir(111) Journal of Physical Chemistry B. 108: 987-994. DOI: 10.1063/1.1507104  0.556
2004 Kandoi S, Gokhale A, Grabow L, Dumesic J, Mavrikakis M. Why Au and Cu Are More Selective Than Pt for Preferential Oxidation of CO at Low Temperature Catalysis Letters. 93: 93-100. DOI: 10.1023/B:Catl.0000016955.66476.44  0.697
2004 Gokhale AA, Huber GW, Dumesic JA, Mavrikakis M. Effect of Sn on the reactivity of Cu surfaces Journal of Physical Chemistry B. 108: 14062-14073. DOI: 10.1021/Jp048013C  0.333
2004 Gokhale AA, Kandoi S, Greeley JP, Mavrikakis M, Dumesic JA. Molecular-level descriptions of surface chemistry in kinetic models using density functional theory Chemical Engineering Science. 59: 4679-4691. DOI: 10.1016/jces.2004.09.038  0.495
2004 Lopez N, Janssens TVW, Clausen BS, Xu Y, Mavrikakis M, Bligaard T, Nørskov JK. On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation Journal of Catalysis. 223: 232-235. DOI: 10.1016/J.Jcat.2004.01.001  0.596
2004 Gokhale AA, Kandoi S, Greeley JP, Mavrikakis M, Dumesic JA. Molecular-level descriptions of surface chemistry in kinetic models using density functional theory Chemical Engineering Science. 59: 4679-4691. DOI: 10.1016/J.Ces.2004.09.038  0.601
2004 Kandoi S,, Gokhale AA, Grabow LC, Dumesic JA, Mavrikakis M. Why Au and Cu are more selective than Pt for preferential oxidation of CO at low temperature Catalysis Letters. 93: 93-100.  0.608
2003 Wintterlin J, Zambelli T, Trost J, Greeley J, Mavrikakis M. Atomic-scale evidence for an enhanced catalytic reactivity of stretched surfaces. Angewandte Chemie (International Ed. in English). 42: 2850-3. PMID 12833339 DOI: 10.1002/Anie.200250845  0.566
2003 Xu Y, Mavrikakis M. Adsorption and dissociation of O2 on gold surfaces: Effect of steps and strain Journal of Physical Chemistry B. 107: 9298-9307. DOI: 10.1021/Jp034380X  0.502
2003 Greeley J, Mavrikakis M. A first-principles study of surface and subsurface H on and in Ni(1 1 1): Diffusional properties and coverage-dependent behavior Surface Science. 540: 215-229. DOI: 10.1016/S0039-6028(03)00790-8  0.594
2003 Xu Y, Mavrikakis M. The adsorption and dissociation of O 2 molecular precursors on Cu: the effect of steps Surface Science. 538: 219-232. DOI: 10.1016/S0039-6028(03)00787-8  0.482
2003 He R, Kusaka H, Mavrikakis M, Dumesic JA. Microcalorimetric, infrared spectroscopic and DFT studies of CO adsorption on Rh and Rh-Te catalysts Journal of Catalysis. 217: 209-221. DOI: 10.1016/S0021-9517(03)00020-4  0.416
2003 Greeley J, Gokhale AA, Kreuser J, Dumesic JA, Topsøe H, Topsøe NY, Mavrikakis M. CO vibrational frequencies on methanol synthesis catalysts: A DFT study Journal of Catalysis. 213: 63-72. DOI: 10.1016/S0021-9517(02)00040-4  0.548
2003 Wintterlin J, Zambelli T, Trost J, Greeley J, Mavrikakis M. Ein mikroskopischer Beleg für eine erhöhte katalytische Reaktivität gedehnter Oberflächen Angewandte Chemie. 115: 2956-2959. DOI: 10.1002/Ange.200250845  0.442
2002 Greeley J, Mavrikakis M. A first-principles study of methanol decomposition on Pt(111). Journal of the American Chemical Society. 124: 7193-201. PMID 12059245 DOI: 10.1021/Ja017818K  0.622
2002 Greeley J, Nørskov JK, Mavrikakis M. Electronic structure and catalysis on metal surfaces. Annual Review of Physical Chemistry. 53: 319-48. PMID 11972011 DOI: 10.1146/Annurev.Physchem.53.100301.131630  0.664
2002 Mavrikakis M, Rempel J, Greeley J, Hansen LB, Nørskov JK. Atomic and molecular adsorption on Rh(111) Journal of Chemical Physics. 117: 6737-6744. DOI: 10.1063/1.1507104  0.564
2002 Xu Y, Mavrikakis M. Adsorption and dissociation of O2 on Ir(111) The Journal of Chemical Physics. 116: 10846-10853. DOI: 10.1063/1.1479716  0.46
2002 Alcalá R, Greeley J, Mavrikakis M, Dumesic JA. Density-functional theory studies of acetone and propanal hydrogenation on Pt(111) Journal of Chemical Physics. 116: 8973-8980. DOI: 10.1063/1.1471247  0.608
2002 Mavrikakis M, Bäumer M, Freund H, Nørskov J. Catalysis Letters. 81: 153-156. DOI: 10.1023/A:1016560502889  0.535
2002 Davda RR, Alcalá R, Shabaker J, Huber G, Cortright RD, Mavrikakis M, Dumesic JA. DFT and experimental studies of C-C and C-O bond cleavage in ethanol and ethylene glycol on Pt catalysts Studies in Surface Science and Catalysis. 145: 79-84. DOI: 10.1016/S0167-2991(03)80168-4  0.351
2002 Xu Y, Mavrikakis M. Erratum to: “Adsorption and dissociation of O2 on Cu(111): thermochemistry, reaction barrier and the effect of strain” [Surface Science 494 (2001) 131–144] Surface Science. 505: 369. DOI: 10.1016/S0039-6028(02)01295-5  0.471
2002 Nørskov J, Bligaard T, Logadottir A, Bahn S, Hansen L, Bollinger M, Bengaard H, Hammer B, Sljivancanin Z, Mavrikakis M, Xu Y, Dahl S, Jacobsen C. Universality in Heterogeneous Catalysis Journal of Catalysis. 209: 275-278. DOI: 10.1006/Jcat.2002.3615  0.627
2002 Greeley J, Mavrikakis M. Methanol decomposition on Cu(111): A DFT study Journal of Catalysis. 208: 291-300. DOI: 10.1006/Jcat.2002.3586  0.597
2001 Watwe RM, Cortright RD, Mavrikakis M, Nørskov JK, Dumesic JA. Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt3Sn(111) Journal of Chemical Physics. 114: 4663-4668. DOI: 10.1063/1.1346685  0.561
2001 Xu Y, Mavrikakis M. Adsorption and dissociation of O2 on Cu(): thermochemistry, reaction barrier and the effect of strain Surface Science. 494: 131-144. DOI: 10.1016/S0039-6028(01)01464-9  0.486
2000 Pedersen MO, Osterlund L, Mortensen JJ, Mavrikakis M, Hansen LB, Stensgaard I, Laegsgaard E, Norskov JK, Besenbacher F. Diffusion of N adatoms on the Fe(100) surface Physical Review Letters. 84: 4898-901. PMID 10990826 DOI: 10.1103/Physrevlett.84.4898  0.467
2000 Mavrikakis M, Stoltze P, Nørskov JK. Making gold less noble Catalysis Letters. 64: 101-106. DOI: 10.1023/A:1019028229377  0.504
1999 Tripa CE, Zubkov TS, Yates JT, Mavrikakis M, Nørskov JK. Molecular N2 chemisorption—specific adsorption on step defect sites on Pt surfaces The Journal of Chemical Physics. 111: 8651-8658. DOI: 10.1063/1.480204  0.544
1999 Medlin JW, Mavrikakis M, Barteau MA. Stabilities of Substituted Oxametallacycle Intermediates: Implications for Regioselectivity of Epoxide Ring Opening and Olefin Epoxidation Journal of Physical Chemistry B. 103: 11169-11175. DOI: 10.1021/Jp992812R  0.702
1998 Mavrikakis M, Hammer B, Nørskov JK. Effect of Strain on the Reactivity of Metal Surfaces Physical Review Letters. 81: 2819-2822. DOI: 10.1103/Physrevlett.81.2819  0.536
1998 Mavrikakis M, Doren DJ, Barteau MA. Density functional theory calculations for simple oxametallacycles: Trends across the periodic table Journal of Physical Chemistry B. 102: 394-399. DOI: 10.1021/Jp971450P  0.6
1998 Jones GS, Mavrikakis M, Barteau MA, Vohs JM. First synthesis, experimental and theoretical vibrational spectra of an oxametallacycle on a metal surface Journal of the American Chemical Society. 120: 3196-3204. DOI: 10.1021/Ja973609H  0.669
1998 Mavrikakis M, Barteau MA. Oxygenate reaction pathways on transition metal surfaces Journal of Molecular Catalysis a: Chemical. 131: 135-147. DOI: 10.1016/S1381-1169(97)00261-6  0.583
1996 Mavrikakis M, Schwank JW, Gland JL. A mean-field modeling study of the interaction between hydrogen and a palladium (110) single crystal Journal of Chemical Physics. 105: 8398-8403. DOI: 10.1063/1.472694  0.693
1996 Mavrikakis M, Schwank JW, Gland JL. Temperature programmed desorption spectra of systems with concentration gradients in the solid lattice Journal of Physical Chemistry. 100: 11389-11395. DOI: 10.1021/Jp9537623  0.674
1996 Mavrikakis M, Schwank JW, Gland JL. Erratum to “The effects of exposure time and pressure on the temperature-programmed desorption spectra of systems with bulk states” [Surface Science 355 (1996) L385] Surface Science. 367: L32. DOI: 10.1016/S0039-6028(96)01020-5  0.644
1996 Mavrikakis M, Schwank JW, Gland JL. The effects of exposure time and pressure on the temperature-programmed desorption spectra of systems with bulk states Surface Science. 355: L385-L392. DOI: 10.1016/0039-6028(96)00311-1  0.653
1995 Franz AJ, Mavrikakis M, Schwank JW, Gland JL. Transient mean-field reaction-diffusion model applied to hydrogen evolution from hydrogenated amorphous silicon Materials Research Society Symposium - Proceedings. 377: 325-330. DOI: 10.1557/Proc-377-325  0.687
1995 Son KA, Mavrikakis M, Gland JL. Low-temperature hydrogenation of cyclohexene by energetic forms of hydrogen on the Ni(100) surface Journal of Physical Chemistry. 99: 6270-6272. DOI: 10.1021/J100017A003  0.596
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