Photo of Michael Janik

Michael Janik

Professor

Affiliation(s):

  • Chemical Engineering

51 Greenberg Building

mjj13@psu.edu

814-863-9366

Personal or Departmental Website

Research Areas:

Energy and Environment, Interfaces and Surfaces

Interest Areas:

 
 

 

Education

Publications

Book, Chapters

  • M J Janik, S A Wasileski, C D Taylor, M Neurock and M TM Koper, 2009, First Principles Simulation of the Active Sites and Reaction Environment in Electrocatalysis

Parts of Book

  • K.-Y. Yeh and Michael J Janik, 2013, Density Functional Theory Methods for Electrocatalysis, Royal Society of Chemistry
  • T. P. Senftle, A. C.T. van Duin and Michael J Janik, 2013, Application of Computational Methods to Supported Metal-Oxide Catalysis

Journal Articles

  • S. A. Akhade, W. Luo, X. Nie, A. Asthagiri and Michael J Janik, 2016, "Theoretical insight on reactivity trends in CO2 electroreduction across transition metals", 6
  • W. Luo, X. Nie, Michael J Janik and A. Asthagiri, 2016, "Facet Dependence of CO2 Reduction Paths on Cu Electrodes", 6
  • I. T. McCrum and Michael J Janik, 2016, "pH and Alkali Cation Effects on the Pt Cyclic Voltammogram Explained Using Density Functional Theory", 120
  • A C Antony, Tao Liang, A Akhade, Michael J Janik, R Phillpot and S B Sinnott, 2016, "Effect of surface chemistry on water interaction with Cu(111)", 32, pp. 8061-8070
  • I T McCrum and Michael J Janik, 2016, "First principles simulations of cyclic voltammograms on stepped Pt(553) and Pt(533) electrode surfaces", 3, pp. 1609-1617
  • G Kumar, C H Lien, Michael J Janik and W Medlin, 2016, "Catalyst Site Selection via Control over Non-Covalent Interactions in Self-Assembled Monolayers", 6, pp. 5086-5094
  • J H Bombile, Michael J Janik and Scott T Milner, 2016, "Tight Binding Model of Conformational Disorder Effects on the Optical Absorption Spectrum of Polythiophenes", 18, pp. 12521-12533
  • S A Akhade, I T McCrum and Michael J Janik, 2016, "The impact of specifically adsorbed ions on the copper-catalyzed electroreduction of CO2", 163, pp. F477-F484
  • G Kumar, S L J. Lau, M D Krcha and Michael J Janik, 2016, "Correlation of methane activation and oxide catalyst reducibility and its implications for oxidative coupling", 6, pp. 1812-1821
  • T P Senftle, S Hong, M Islam, Y Zhang, Y K Shin, C Junkermeier, R Engel-Herbert, Michael J Janik, M Aktulga, T Verstaelen, A Grama and Adrianus C van Duin, 2016, "The ReaxFF Reactive Force-field: Development, Applications, and Future Directions", 2, pp. 15011
  • L Luo, A Zhang, Michael J Janik, C Song and X Guo, 2016, "Mesoporous graphitic carbon nitride functionalized iron oxides for promoting phenol oxidation activity", 6, pp. 91960-91967
  • L Luo, A Zhang, Michael J Janik, C Song and X Guo, 2016, "Facile fabrication of metal-free urchin-like g-C3N4 with superior photocatalytic activity", 6, pp. 94496-94501
  • X Nie, H Wang, Michael J Janik, X Guo and C Song, 2016, "Computational investigation of Fe-Cu bimetallic catalysts for CO2 hydrogenation", 120, pp. 9364-9373
  • M. E. Strayer, T. P. Senftle, J. P. Winterstein, N. M. Vargas-Barbosa, R. Sharma, Robert M Rioux, Michael J Janik and Thomas E Mallouk, 2015, "Charge transfer stabilization of late transition metal oxide nanoparticles on a layered niobate support", Journal of the American Chemical Society, 137
  • T. P. Senftle, Adrianus C van Duin and Michael J Janik, 2015, "The Role of Site Stability in Methane Activation on PdxCe1-xOd Surfaces", ACS Catalysis, 5
  • D. J. Chadderdon, L. Xin, J. Qi, B, Brady, J. A. Miller, K. Sun, Michael J Janik and W Li, 2015, "Selective Electrocatalytic Oxidation of 1,2-Propanediol in Continuous-Flow Alkaline Anion-Exchange Membrane Reactors: Combined Electrokinetic and DFT studies", ACS Catalysis, 5
  • S. Sitamraju, J. Xiao, Michael J Janik and Chunshan Song, 2015, "Active Sites on Ti-Ce Mixed Metal Oxides for Reactive Adsorption of Thiophene and Its Derivatives: A DFT Study", Journal of Physical Chemistry C, 119
  • Matthew D Krcha and Michael J Janik, 2015, "Catalytic Propane Reforming Mechanism over Mn-Doped CeO2 (111)", Surface Science, 640
  • L. Li, Michael J Janik, X. Nie, Chunshan Song and X. Guo, 2015, "Mechanism of 4-MBP Methylation with Methanol over H-ZSM-5 Zeolite", Acta Physico-Chimica Sinica, 31, pp. 56-66
  • I. T. McCrum, S. Akhade and Michael J Janik, 2015, "Electrochemical specific adsorption of halides on Cu 111, 100, and 211: A Density Functional Theory study", Electrochimica Acta, 173
  • Hao Kuang, Michael J Janik and Enrique Daniel Gomez, 2015, "Sharp interfaces in conjugated block copolymers can suppress intermolecular charge recombination", Journal of Polymer Science, Part B: Polymer Physics, 53
  • M. D. Krcha, K. M. Dooley and Michael J Janik, 2015, "Alkane Reforming on Partially Sulfided CeO¬2 (1 1 1) Surfaces", Journal of Catalysis, 330
  • J. Xiao, S. Sitamraju, Y. Chen, S. Wantanabe, M Fujii, Michael J Janik and C. Song, 2015, "Air-promoted Adsorptive Desulfurization of Diesel Fuel over Ti-Ce Mixed Metal Oxides", AIChE Journal, 61, pp. 631-639
  • R. Addou, T. P. Senftle, N. O'Connor, Michael J Janik, Adrianus C van Duin and M. Batzill, 2014, "The influence of hydroxyls on Pd-atom mobility and clustering on rutile TiO2(011)-2×1", ACS Nano, 8, pp. 6321-6333
  • J N Mills, I T McCrum and Michael J Janik, 2014, "Alkali cation specific adsorption onto fcc (111) transition metal electrodes", Physical Chemistry Chemical Physics, 16, pp. 13699-13707
  • T. P. Senftle, Michael J Janik and A. C. T. van Duin, 2014, "A ReaxFF Investigation of Hydride Formation in Palladium Nanoclusters via Monte Carlo and Molecular Dynamics Simulations", Journal of Physical Chemistry C, 118, (9), pp. 4967-4981
  • M. D. Krcha and Michael J Janik, 2014, "Catalytic propane reforming mechanism over Zr-doped CeO2 (111)", Catalysis Science & Technology, 4, (9), pp. 3278-3289
  • M. D. Krcha and Michael J Janik, 2014, "Challenges in the Use of Density Functional Theory to Examine Catalysis by M-Doped Ceria Surfaces", International Journal of Quantum Chemistry, 114, (1), pp. 8-13
  • Jing Xiao, S. Sitamraju and Michael J Janik, 2014, "CO2 Adsorption Thermodynamics over N-Substituted/Grafted Graphanes: A DFT Study", Langmuir, 30, (7), pp. 1837-1844
  • N. J. Bernstein, S. A. Akhade and Michael J Janik, 2014, "Density functional theory study of carbon dioxide electrochemical reduction on the Fe(100) surface", Physical Chemistry Chemical Physics, 16, (27), pp. 13708-13717
  • K. Lee, E. Lee, Chunshan Song and Michael J Janik, 2014, "Density functional theory study of propane steam reforming on Rh-Ni bimetallic surface: Sulfur tolerance and scaling/Bronsted-Evans-Polanyi relations", Journal of Catalysis, 309, pp. 248-259
  • T. P. Senftle, Adrianus C van Duin and Michael J Janik, 2014, "Determining in situ phases of a nanoparticle catalyst via grand canonical Monte Carlo simulations with the ReaxFF potential", Catalysis Communications, 52, pp. 72-77
  • L. M. Wu, S. Sitamraju, Jing Xiao, B. Liu, Z. Li, Michael J Janik and Chunshan Song, 2014, "Effect of liquid-phase O-3 oxidation of activated carbon on the adsorption of thiophene", Chemical Engineering Journal, 242, pp. 211-219
  • C. S. Spanjers, T. P. Senftle, Adrianus C van Duin, Michael J Janik, A. I. Frenkel and Robert M Rioux, 2014, "Illuminating surface atoms in nanoclusters by differential X-ray absorption spectroscopy", Physical Chemistry Chemical Physics, 16, (48), pp. 26528-26538
  • T. Liang, Y. T. Cheng, X. W. Nie, W. J. Luo, A. Asthagiri, Michael J Janik, E. Andrews, J. Flake and S. B. Sinnott, 2014, "Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10 (1)over-bar 0) using charge optimized many body potentials", Catalysis Communications, 52, pp. 84-87
  • I. Merino-Jimenez, Michael J Janik, C. P. de Leon and F. C. Walsh, 2014, "Pd-Ir alloy as an anode material for borohydride oxidation", Journal of Power Sources, 269, pp. 498-508
  • S. A. Akhade, W. J. Luo, X. W. Nie, N. J. Bernstein, A. Asthagiri and Michael J Janik, 2014, "Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals", Physical Chemistry Chemical Physics, 16, (38), pp. 20429-20435
  • X. W. Nie, W. J. Luo, Michael J Janik and A. Asthagiri, 2014, "Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory", Journal of Catalysis, 312, pp. 108-122
  • X. W. Nie, G. L. Griffin, Michael J Janik and A. Asthagiri, 2014, "Surface phases of Cu2O(111) under CO2 electrochemical reduction conditions", Catalysis Communications, 52, pp. 88-91
  • J. J. Spivey, K. S. Krishna, Cssr Kumar, K. M. Dooley, J. C. Flake, L. H. Haber, Y. Xu, Michael J Janik, S. B. Sinnott, Y. T. Cheng, T. Liang, D. S. Sholl, T. A. Manz, U. Diebold, G. S. Parkinson, D. A. Bruce and P. de Jongh, 2014, "Synthesis, Characterization, and Computation of Catalysts at the Center for Atomic-Level Catalyst Design", Journal of Physical Chemistry C, 118, (35), pp. 20043-20069
  • C. S. Spanjers, J. T. Held, M. J. Jones, D. D. Stanley, R. S. Sim, Michael J Janik and Robert M Rioux, 2014, "Zinc inclusion to heterogeneous nickel catalysts reduces oligomerization during the semi-hydrogenation of acetylene", Journal of Catalysis, 316, pp. 164-173
  • L Li, M J Janik, X Nie, C Song and X Guo, 2013, "An ONIOM Study of Toluene Methylation with Dimethyl Carbonate and Methanol over H-ZSM-5 zeolite", Acta Physico-Chimica Sinica, 29, pp. 1467-1478
  • T P Senftle, R J Meyer, M J Janik and A CT van Duin, 2013, "Development of a ReaxFF Potential for Pd/O and Application to Palladium Oxide Formation", Journal of Chemical Physics, 139, pp. 44109
  • M D Krcha and M J Janik, 2013, "Examination of Oxygen Vacancy Formation in Mn-Doped CeO2 (111) using DFT+U and the Hybrid Functional HSE06", Langmuir, 29, pp. 10120-10131
  • K Y Yeh, M J Janik and J K Maranas, 2013, "Molecular dynamics simulations of an electrified water/Pt(111) interface using point charge dissociative water", Electrochimica Acta, 101, pp. 308-325
  • M J Grisewood, N P Gifford, R J Pantazes, P C Cirino, M J Janik and Costas D Maranas, 2013, "OptZyme: Computational Enzyme Redesign Using Transition State Analogues", PLOS One, 8, pp. e75358
  • X Nie, M R Esopi, M J Janik and A Asthagiri, 2013, "Selectivity of CO2 reduction on copper electrodes: The role of the kinetics of elementary steps", Angewandte Chemie International Edition, 52, pp. 2459-2462
  • K Y Yeh, N A Restaino, M R Esopi, J K Maranas and M J Janik, 2013, "The adsorption of bisulfate and sulfate anions over a Pt(111) electrode: A first principle study of adsorption configurations, vibrational frequencies and linear sweep voltammogram simulations", Catalysis Today, 202, pp. 20-35
  • H. S. Shiau, W. J. Liu, Ralph Colby and Michael J Janik, 2013, "Cluster-continuum quantum mechanical models to guide the choice of anions for Li+-conducting ionomers", Journal of Chemical Physics, 139, (20)
  • T. P. Senftle, R. J. Meyer, Michael J Janik, van Duin and A. C. T., 2013, "Development of a ReaxFF potential for Pd/O and application to palladium oxide formation", Journal of Chemical Physics, 139, (4)
  • M. D. Krcha and Michael J Janik, 2013, "Examination of Oxygen Vacancy Formation in Mn-Doped CeO2 (111) Using DFT plus U and the Hybrid Functional HSE06", Langmuir, 29, (32), pp. 10120-10131
  • H. W. Gao, S. Pishney and Michael J Janik, 2013, "First principles study on the adsorption of CO2 and H2O on the K2CO3 (001) surface", Surface Science, 609, pp. 140-146
  • K. Y. Yeh, Michael J Janik and Janna K Maranas, 2013, "Molecular dynamics simulations of an electrified water/Pt(111) interface using point charge dissociative water", Electrochimica Acta, 101, pp. 308-325
  • M. J. Grisewood, N. P. Gifford, R. J. Pantazes, Y. Li, Patrick C Cirino, Michael J Janik and Costas D Maranas, 2013, "OptZyme: Computational Enzyme Redesign Using Transition State Analogues", Plos One, 8, (10)
  • X. W. Nie, M. R. Esopi, Michael J Janik and A. Asthagiri, 2013, "Selectivity of CO2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps", Angewandte Chemie-International Edition, 52, (9), pp. 2459-2462
  • K. Y. Yeh, N. A. Restaino, M. R. Esopi, Janna K Maranas and Michael J Janik, 2013, "The adsorption of bisulfate and sulfate anions over a Pt(111) electrode: A first principle study of adsorption configurations, vibrational frequencies and linear sweep voltammogram simulations", Catalysis Today, 202, pp. 20-35
  • X. W. Nie, Michael J Janik, X. W. Guo and Chunshan Song, 2012, "A computational investigation of ring-shift isomerization of sym-octahydrophenanthrene to sym-octahydroanthracene catalyzed by acidic zeolites", Physical Chemistry Chemical Physics, 14, (48), pp. 16644-16653
  • Y. H. Duan, D. R. Luebke, H. W. Pennline, B. Y. Li, Michael J Janik and J. W. Halley, 2012, "Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate, K2CO3 center dot 1.5H(2)O", Journal of Physical Chemistry C, 116, (27), pp. 14461-14470
  • K. Lee, Chunshan Song and Michael J Janik, 2012, "Ab Initio Thermodynamics Examination of Sulfur Species Present on Rh, Ni, and Binary Rh-Ni Surfaces under Steam Reforming Reaction Conditions", Langmuir, 28, (13), pp. 5660-5668
  • R. Li, M. D. Krcha, Michael J Janik, A. D. Roy and K. M. Dooley, 2012, "Ce-Mn Oxides for High-Temperature Gasifier Effluent Desulfurization", Energy & Fuels, 26, (11), pp. 6765-6776
  • J. H. Guo, Michael J Janik and Chunshan Song, 2012, "Density Functional Theory Study on the Role of Ceria Addition in TixCe1-xO2 Adsorbents for Thiophene Adsorption", Journal of Physical Chemistry C, 116, (5), pp. 3457-3466
  • M. D. Krcha, A. D. Mayernick and Michael J Janik, 2012, "Periodic trends of oxygen vacancy formation and C-H bond activation over transition metal-doped CeO2 (111) surfaces", Journal of Catalysis, 293, pp. 103-115
  • S. Sitamraju, Michael J Janik and Chunshan Song, 2012, "Selectivity of Adsorption of Thiophene and its Derivatives on Titania Anatase Surfaces: A Density Functional Theory Study", Topics in Catalysis, 55, (5-6), pp. 229-242
  • X. W. Nie, Michael J Janik, X. W. Guo and Chunshan Song, 2012, "Shape-Selective Methylation of 2-Methylnaphthalene with Methanol over H-ZSM-5 Zeolite: A Computational Study", Journal of Physical Chemistry C, 116, (6), pp. 4071-4082
  • X Nie, M J Janik, X Gu and, C Song , 2012, "A Computational Investigation of Ring-Shift Isomerization of sym-Octahydrophenanthrene into sym-Octahydroanthracene Catalyzed by Acidic Zeolites", Physical Chemistry Chemical Physics, 14, pp. 16644-16653
  • Y Duan, D R Luebke, H W Pennline, B Li, M J Janik and J W Halley, 2012, "Ab initio thermodynamic study of the CO2 capture properties of potassium carbonate sesquihydrate K2CO3·1.5H2O", Journal of Physical Chemistry C, 116, pp. 14461-14470
  • K Lee, C Song and M J Janik, 2012, "Ab Initio Thermodynamics Examination of Sulfur Species Present on Rh, Ni, and Binary Rh-Ni Surfaces under Steam Reforming Reaction Conditions", Langmuir, 28, pp. 5660-5668
  • R Li, M D Krcha, M J Janik, A D Roy and K M Dooley, 2012, "Ce-Mn Oxides for High-Temperature Gasifier Effluent Desulfurization", Energy & Fuels, 26, pp. 6765-6776
  • J Guo, C Song and M J Janik, 2012, "Density Functional Theory Study on the Role of Ceria Addition in TixCe1-xO2 Adsorbents for Thiophene Adsorption", Journal of Physical Chemistry C, 116, pp. 3457-3466
  • W Liu, M J Janik and R H Colby, 2012, "First Principles Design of Ionomers for Facile Ion Transport", ACS Symposium Book Series, Polymers for Energy Storage and Delivery, Polyelectrolytes for Batteries and Fuel Cells, 1096, pp. 19-44
  • M D Krcha, A D Mayernick and M J Janik, 2012, "Periodic Trends of Oxygen Vacancy Formation and C-H Bond Activation over Transition Metal-Doped CeO2 (111) Surfaces", Journal of Catalysis, 293, pp. 103-115
  • S Sitamraju, M J Janik and C Song, 2012, "Selectivity of Adsorption of Thiophene and its Derivatives on Titania Anatase Surfaces: A Density Functional Theory Study", Topics in Catalysis, 55, (5-6), pp. 229-242
  • X Nie, M J Janik, X Guo and C Song, 2012, "Shape-selective Methylation of 2-Methylnaphthalene with Methanol over H-ZSM-5 Zeolite: A Computational Study", Journal of Physical Chemistry C, 116, (6), pp. 4071-4082
  • G M Mullen and M J Janik, 2011, "A Density Functional Theory Study of Alkane-Alkoxide Hydride Transfer in Zeolites", ACS Catalysis, 1, pp. 105-115
  • I Shahidi Pour Savizi and M J Janik, 2011, "Acetate and phosphate anion adsorption linear sweep voltammograms simulated using density functional theory", Electrochimica Acta, 56, pp. 3996-4006
  • K Y Yeh and M J Janik, 2011, "Density Functional Theory-based Electrochemical Models for the Oxygen Reduction Reaction: Comparison of Modeling Approaches for Electric Field and Solvent Effects", Journal of Computational Chemistry, 32, pp. 3399-3408
  • A D Mayernick, R Li, K M Dooley and M J Janik, 2011, "Energetics and Mechanism for H2S Adsorption by Ceria-Lanthanide Mixed Oxides: Implications for the Desulfurization of Biomass Gasifier Effluents", Journal of Physical Chemistry C, 115, pp. 24178-24188
  • G Rostamikia, A J Mendoza, M A Hickner and M J Janik, 2011, "First-principles based microkinetic modeling of borohydride oxidation on a Au(111) electrode", Journal of Power Sources, 196, pp. 9228-9237
  • J Guo, C Xie, K Lee, J T Miller, N Guo, M J Janik and C Song, 2011, "Improving the Carbon Resistance of Ni-Based Steam Reforming Catalyst by Alloying with Rh. A Computational Study Coupled with Reforming Experiments and EXAFS Characterization", ACS Catalysis, 1, pp. 574-582
  • A D Mayernick and M J Janik, 2011, "Methane Oxidation on Pd-Ceria: A DFT Study of the Mechanism over PdxCe1-xO2, Pd, and PdO", Journal of Catalysis, 278, pp. 16-25
  • X Nie, M J Janik, C Song, X Liu and X Guo, 2011, "Reaction Mechanism of tert-Butylation of Phenol with tert-Butyl Alcohol over H-Beta Zeolite: An ONIOM Study", Catalysis Today, 165, pp. 120-128
  • I. S. P. Savizi and Michael J Janik, 2011, "Acetate and phosphate anion adsorption linear sweep voltammograms simulated using density functional theory", Electrochimica Acta, 56, (11), pp. 3996-4006
  • G. M. Mullen and Michael J Janik, 2011, "Density Functional Theory Study of Alkane-Alkoxide Hydride Transfer in Zeolites", Acs Catalysis, 1, (2), pp. 105-115
  • K. Y. Yeh and Michael J Janik, 2011, "Density Functional Theory-Based Electrochemical Models for the Oxygen Reduction Reaction: Comparison of Modeling Approaches for Electric Field and Solvent Effects", Journal of Computational Chemistry, 32, (16), pp. 3399-3408
  • A. D. Mayernick, R. Li, K. M. Dooley and Michael J Janik, 2011, "Energetics and Mechanism for H2S Adsorption by Ceria-Lanthanide Mixed Oxides: Implications for the Desulfurization of Biomass Gasifier Effluents", Journal of Physical Chemistry C, 115, (49), pp. 24178-24188
  • G. Rostamikia, A. J. Mendoza, Michael A Hickner and Michael J Janik, 2011, "First-principles based microkinetic modeling of borohydride oxidation on a Au(111) electrode", Journal of Power Sources, 196, (22), pp. 9228-9237
  • J. H. Guo, C. Xie, K. T. Lee, N. Guo, J. T. Miller, Michael J Janik and Chunshan Song, 2011, "Improving the Carbon Resistance of Ni-Based Steam Reforming Catalyst by Alloying with Rh: A Computational Study Coupled with Reforming Experiments and EXAFS Characterization", Acs Catalysis, 1, (6), pp. 574-582
  • A. D. Mayernick and Michael J Janik, 2011, "Methane oxidation on Pd-Ceria: A DFT study of the mechanism over PdxCe1-xO2, Pd, and PdO", Journal of Catalysis, 278, (1), pp. 16-25
  • X. W. Nie, Michael J Janik, X. W. Guo, X. Liu and Chunshan Song, 2011, "Reaction mechanism of tert-butylation of phenol with tert-butyl alcohol over H-beta zeolite: An ONIOM study", Catalysis Today, 165, (1), pp. 120-128
  • A. D. Mayernick, M. Batzill, van Duin, A. C. T. and Michael J Janik, 2010, "A reactive force-field (ReaxFF) Monte Carlo study of surface enrichment and step structure on yttria-stabilized zirconia", Surface Science, 604, (17-18), pp. 1438-1444
  • K. Lee, Chunshan Song and Michael J Janik, 2010, "Density functional theory study of sulfur tolerance of CO adsorption and dissociation on Rh-Ni binary metals", Applied Catalysis a-General, 389, (1-2), pp. 122-130
  • J. H. Guo, S. Watanabe, Michael J Janik, Xiaoliang Ma and Chunshan Song, 2010, "Density functional theory study on adsorption of thiophene on TiO2 anatase (001) surfaces", Catalysis Today, 149, (1-2), pp. 218-223
  • G. Rostamikia and Michael J Janik, 2010, "Direct borohydride oxidation: mechanism determination and design of alloy catalysts guided by density functional theory", Energy & Environmental Science, 3, (9), pp. 1262-1274
  • G. Rostamikia and Michael J Janik, 2010, "First principles mechanistic study of borohydride oxidation over the Pt(111) surface", Electrochimica Acta, 55, (3), pp. 1175-1183
  • S. Liu, W. J. Liu, Y. Liu, J. H. Lin, X. Zhou, Michael J Janik, Ralph Colby and Qiming Zhang, 2010, "Influence of imidazolium-based ionic liquids on the performance of ionic polymer conductor network composite actuators", Polymer International, 59, (3), pp. 321-328
  • J. Lahiri, A. Mayernick, S. L. Morrow, B. E. Koel, van Duin, A. C. T., Michael J Janik and M. Batzill, 2010, "Modification of Active Sites on YSZ(111) by Yttria Segregation", Journal of Physical Chemistry C, 114, (13), pp. 5990-5996
  • H. E. Hoster, Michael J Janik, M. Neurock and R. J. Behm, 2010, "Pt promotion and spill-over processes during deposition and desorption of upd-H-ad and OHad on PtxRu1-x/Ru(0001) surface alloys", Physical Chemistry Chemical Physics, 12, (35), pp. 10388-10397
  • A D Mayernick, M Batzill, A van Duin and M J Janik, 2010, "A ReaxFF Reactive Monte Carlo Study of Surface Enrichment and Step Structure on Yttria-Stabilized Zirconia", Surface Science, 504, pp. 1438-1444
  • K Lee, C Song and M J Janik, 2010, "Density Functional Theory Study of Sulfur Tolerance of CO Adsorption and Dissociation on Rh-Ni Binary Metals", Applied Catalysis A: General, 389, pp. 122-130
  • J Guo, S Watanabe, M J Janik, X Ma and C Song, 2010, "Density Functional Theory Study on Adsorption of Thiophene on TiO2 Anatase (001) Surfaces", Catalysis Today, 149, pp. 218-223
  • G Rostamikia and M J Janik, 2010, "Direct borohydride oxidation: mechanism determination and design of alloy catalysts guided by density functional theory", Energy & Environmental Science, 3, pp. 1262-1274
  • G Rostamikia and M J Janik, 2010, "First Principles Mechanistic Study of Borohydride Oxidation over the Pt(111) Surface", Electrochimica Acta, 55, pp. 1175-1183
  • S Liu, W Liu, Y Liu, J H Lin, X Zhou, M J Janik, R H Colby and Q Zhang, 2010, "Influence of imidazolium-based ionic liquids on the performance of ionic polymer conductor network composite actuators", Polymer International, 59, pp. 321-328
  • J Lahiri, A D Mayernick, S L Morrow, B E Koel, A CT van Duin, M J Janik and M Batzill, 2010, "Modification of active sites on YSZ(111) by yttria segregation", Journal of Physical Chemistry C, 114, pp. 5990-5996
  • A. D. Mayernick and Michael J Janik, 2009, "Ab initio thermodynamic evaluation of Pd atom interaction with CeO2 surfaces", Journal of Chemical Physics, 131, (8)
  • A. L. Barnette, D. B. Asay, Michael J Janik and Seong H Kim, 2009, "Adsorption Isotherm and Orientation of Alcohols on Hydrophilic SiO2 under Ambient Conditions", Journal of Physical Chemistry C, 113, (24), pp. 10632-10641
  • G. Rostamikia and Michael J Janik, 2009, "Borohydride Oxidation over Au(111): A First-Principles Mechanistic Study Relevant to Direct Borohydride Fuel Cells", Journal of the Electrochemical Society, 156, (1), pp. B86-B92
  • Michael J Janik, J. Macht, E. Iglesia and M. Neurock, 2009, "Correlating Acid Properties and Catalytic Function: A First-Principles Analysis of Alcohol Dehydration Pathways on Polyoxometalates", Journal of Physical Chemistry C, 113, (5), pp. 1872-1885
  • K. Y. Yeh, S. A. Wasileski and Michael J Janik, 2009, "Electronic structure models of oxygen adsorption at the solvated, electrified Pt(111) interface", Physical Chemistry Chemical Physics, 11, (43), pp. 10108-10117
  • A. L. Barnette, D. B. Asay, D. Kim, B. D. Guyer, H. Lim, Michael J Janik and Seong H Kim, 2009, "Experimental and Density Functional Theory Study of the Tribochemical Wear Behavior of SiO2 in Humid and Alcohol Vapor Environments", Langmuir, 25, (22), pp. 13052-13061
  • Michael J Janik, C. D. Taylor and M. Neurock, 2009, "First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)", Journal of the Electrochemical Society, 156, (1), pp. B126-B135
  • M J Janik, C D Taylor and M Neurock, 2009, "A First Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)", The Journal of the Electrochemical Society, 156, pp. B126-B135
  • M Neurock, M J Janik and A Wieckowski, 2009, "A first principles comparison of the mechanism and site requirements for the electrocatalytic oxidation of methanol and formic acid over Pt", Faraday Discussions, 140, pp. 363-378
  • A D Mayernick and M J Janik, 2009, "Ab initio thermodynamic evaluation of Pd atom interaction with CeO2 surfaces", Journal of Chemical Physics, 131, pp. 084701-084712
  • G Rostamikia and M J Janik, 2009, "Borohydride Oxidation over Au(111): A First-Principles Mechanistic Study Relevant to Direct Borohydride Fuel Cells", Journal of the Electrochemical Society, 156, pp. B86-B92
  • M J Janik, J Macht, E Iglesia and M Neurock, 2009, "Correlation of Acid Properties and Catalytic Activity: A First Principles Study of Alcohol Dehydration over Polyoxometalates", Journal of Physical Chemistry C, 113, pp. 1872-1885
  • K Y Yeh, S A Wasileski and M J Janik, 2009, "Electronic structure models of oxygen adsorption at the solvated, electrified Pt(111) interface", Physical Chemistry Chemical Physics, 11, pp. 10108-10117
  • A L Barnette, D B Asay, D Kim, B D Guyer, H Lim, M J Janik and S H Kim, 2009, "Experimental and Density Functional Theory Study of the Tribochemical Wear Behavior of SiO2 in Humid and Alcohol Vapor Environments", Langmuir, 25, pp. 13052-13061
  • S. A. Wasileski and Michael J Janik, 2008, "A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects", Physical Chemistry Chemical Physics, 10, (25), pp. 3613-3627
  • J. Macht, Michael J Janik, M. Neurock and E. Iglesia, 2008, "Mechanistic consequences of composition in acid catalysis by polyoxometalate Keggin clusters", Journal of the American Chemical Society, 130, (31), pp. 10369-10379
  • A. D. Mayernick and Michael J Janik, 2008, "Methane activation and oxygen vacancy formation over CeO2 and Zr, Pd substituted CeO2 surfaces", Journal of Physical Chemistry C, 112, (38), pp. 14955-14964
  • M J Janik and Sally A Wasileski, 2008, "A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects", Physical Chemistry Chemical Physics, 10, pp. 3613-3627
  • M Macht, M J Janik, M Neurock and E Iglesia, 2008, "Mechanistic Consequences of Composition in Acid Catalysis by Polyoxometalate Keggin Clusters", The Journal of the American Chemical Society, 130, pp. 12292-12300
  • A D Mayernick and M J Janik, 2008, "Methane activation and oxygen vacancy formation over CeO2 and Zr, Pd doped CeO2 surfaces", The Journal of Physical Chemistry C, 112, pp. 14955-14964
  • Michael J Janik and M. Neurock, 2007, "A first principles analysis of the electro-oxidation of CO over Pt(111)", Electrochimica Acta, 52, (18), pp. 5517-5528
  • C. D. Taylor, Michael J Janik, M. Neurock and R. G. Kelly, 2007, "Ab initio simulations of the electrochemical activation of water", Molecular Simulation, 33, (4-5), pp. 429-436
  • J. Macht, Michael J Janik, M. Neurock and E. Iglesia, 2007, "Catalytic consequences of composition in polyoxometalate clusters with keggin structure", Angewandte Chemie-International Edition, 46, (41), pp. 7864-7868
  • Michael J Janik, C. D. Taylor and M. Neurock, 2007, "First principles analysis of the electrocatalytic oxidation of methanol and carbon monoxide", Topics in Catalysis, 46, (3-4), pp. 306-319
  • M J Janik and M Neurock, 2007, "A First Principles Analysis of the Electro-oxidation of CO over Pt (111)", Electrochimica Acta, 52, pp. 5517-5528
  • C D Taylor, M J Janik, M Neurock and R G Kelly, 2007, "Ab Initio Simulations of the Electrochemical Activation of Water", Molecular Simulation, 33, pp. 429-436
  • J Macht, M J Janik, M Neurock and E Iglesia, 2007, "Catalytic Consequences of Composition in Polyoxometalate Clusters with Keggin Structure", Angewandte Chemie International Edition, 46, pp. 7864-7868
  • M J Janik, C D Taylor and M Neurock, 2007, "First Principles Analysis of the Electrocatalytic Oxidation of Methanol and Carbon Monoxide", Topics in Catalysis, 46, pp. 306-319
  • Michael J Janik, R. J. Davis and M. Neurock, 2006, "A density functional theory study of the alkylation of isobutane with butene over phosphotungstic acid", Journal of Catalysis, 244, (1), pp. 65-77
  • Michael J Janik, R. J. Davis and M. Neurock, 2006, "A quantum chemical study of tertiary carbenium ions in acid catalyzed hydrocarbon conversions over phosphotungstic acid", Catalysis Today, 116, (2), pp. 90-98
  • J. Rossmeisl, J. K. Norskov, C. D. Taylor, Michael J Janik and M. Neurock, 2006, "Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111)", Journal of Physical Chemistry B, 110, (43), pp. 21833-21839
  • Michael J Janik, B. B. Bardin, R. J. Davis and M. Neurock, 2006, "A Quantum Chemical Study of the Decomposition of Keggin-Structured Heteropolyacids", Journal of Physical Chemistry B, 110, pp. 4170-4178
  • K. A. Campbell, Michael J Janik, M. Neurock and R. J. Davis, 2005, "Ab Initio and Microcalorimetric Investigations of Alkene Adsorption on Phosphotungstic Acid", Langmuir, 21, pp. 4738-4745
  • Michael J Janik, R. J. Davis and M. Neurock, 2005, "Anhydrous and Water-Assisted Proton Mobility in Phosphotungstic Acid", Journal of the American Chemical Society, 127, pp. 5238-5245
  • Michael J Janik, R. J. Davis and M. Neurock, 2005, "The Relationship Between Adsorption and Solid Acidity of Heteropolyacids", Catalysis Today, 105, pp. 134-143
  • J. Yang, Michael J Janik, Z. Zheng, M. Zhang, M. Neurock, R. J. Davis, C. Ye and F. Deng, 2005, "Location and Acid Strength of the Protons in Anhydrous 12-H3PW12O40: A Combined Solid-State NMR Spectroscopy and DFT Quantum Chemical Calculation Study", Journal of the American Chemical Society, 127, pp. 18274-18280
  • Michael J Janik, R. J. Davis and M. Neurock, 2004, "A First Principles Analysis of the Location and Affinity of Protons in the Secondary Structure of Phosphotungstic Acid", Journal of Physical Chemistry B, 108, pp. 12292-12300
  • Michael J Janik, K. A. Campbell, B. B. Bardin, R. J. Davis and M. Neurock, 2003, "A computational and experimental study of anhydrous phosphotungstic acid and its interaction with water molecules", Applied Catalysis A: General, 256, pp. 51-68

Conference Proceedings

  • G. Rostamikia and Michael J Janik, 2008, "A First Principles Study of Direct Oxidation of Aqueous Borohydride on Au and Pt Surfaces", 16, pp. 1869-1876

Research Projects

  • March 2017 - March 2021, "High Rate Ammonia Synthesis by Intermediate Temperature Solid-State Alkaline Electrolyzer (ITSAE)," (Sponsor: Advanced Research Projects Agency-Energy, Department of Energy (PSU subcontract amount) Subcontract PI).
  • April 2015 - March 2020, "NRT-DESE: Computational Materials Education and Training - Bridging Methods and Applications (COMET)," (Sponsor: National Science Foundation NRT-1449785).
  • September 2016 - September 2019, "Peptide Control of Electrocatalyst Surface Environment and Catalyst Structure: A Design Platform to Enable Mechanistic Understanding and Synthesis of Active and Selective N2 Reduction Catalysts," (Sponsor: Department of Energy, DE-SC0016529).
  • September 2014 - September 2018, "DMREF: Collaborative Research: Computationally guided design of multicomponent materials for electrocatalytic cascade reactions," (Sponsor: National Science Foundation "Designing Materials to Revolutionize and Engineering Our Future).
  • June 2016 - May 2018, "Collaborative Research: Hydrocarbon conversion on oxysulfide surfaces: Towards the design of sulfur-tolerant reforming catalysts," (Sponsor: National Science Foundation, CBET-1510541).
  • September 2015 - August 2018, "Collaborative Research: Modifying oxide surfaces with functional atomic-layers for nano-engineered catalysts," (Sponsor: National Science Foundation CHE-1505607).
  • September 2013 - August 2016, "Collaborative Research: Multiscale atomistic modeling tools for electrocatalytic systems," (Sponsor: National Science Foundation CBET: Catalysis and Biocatalysis).

Honors and Awards

  • Premier Teaching Award from the Penn State Engineering Alumni Society, May 2016

Service

Service to Penn State:

  • Committee Member, COE Environment Survey (ENGAGE) Committee, September 2015 - June 2016
  • Advisor, Faculty Advisor to Omega Chi Epsilon, August 2009 - January 2015
  • Administrator, Graduate Program Coordinator, May 2013 - January 2015
  • Committee Member, Representative, Research Computing and Cyberinfrastructure Advisory Committee, May 2015
  • Committee Member, Representative, High Performance Working Group, May 2015
  • Committee Member, Representative, COE Research Computing Council, September 2015
  • Coordinator, MS Program Coordinator, May 2015
  • , Promotion & Tenure Committee, September 2016
  • , Department Advisory Committee, September 2016

Service to External Organizations:

  • , Proposal review for National Science Foundation (2 panels), 2016
  • Co-managerNorth American Catalysis Society, January 2014 - August 2015
  • Chairperson, North American Catalysis Society, Programming, May 2014 - August 2015
  • Director, American Institute of Chemical Engineers, January 2012 - November 2015
  • Discussion LeaderCatalysis Gordon Conference, January 2014 - August 2014
  • TreasurerPittsburgh-Cleveland Catalysis Society, May 2012
 


 

About

The Penn State Department of Chemical Engineering, established in 1948, is recognized as one of the largest and most influential chemical engineering departments in the nation.

The department is built upon the fundamentals of academic integrity, innovation in research, and commitment to the advancement of industry.

Department of Chemical Engineering

119 Greenberg Complex

The Pennsylvania State University

University Park, PA 16802-4400

Phone: 814-865-2574