Michael J. Janik, Ph.D. - Publications

Affiliations: 
2006- Pennsylvania State University, State College, PA, United States 
Area:
catalysis
Website:
http://www.che.psu.edu/department/directory-detail.aspx?LandOn=Gen&q=mjj13

109 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
2019 Nie X, Ren X, Ji X, Chen Y, Janik MJ, Guo X, Song C. Mechanistic Insight into Propylene Epoxidation with HO over TS-1: Effects of Zeolite Confinement and Solvent. The Journal of Physical Chemistry. B. PMID 31387353 DOI: 10.1021/acs.jpcb.9b04439  0.68
2019 Zhang W, Bombile JH, Weisen AR, Xie R, Colby RH, Janik MJ, Milner ST, Gomez ED. Thermal Fluctuations Lead to Cumulative Disorder and Enhance Charge Transport in Conjugated Polymers. Macromolecular Rapid Communications. e1900134. PMID 31116905 DOI: 10.1002/marc.201900134  0.96
2019 Maheshwari S, Rostamikia G, Janik MJ. Elementary kinetics of nitrogen electroreduction on Fe surfaces. The Journal of Chemical Physics. 150: 041708. PMID 30709282 DOI: 10.1063/1.5048036  1
2018 Qiu Y, Xin L, Li Y, McCrum IT, Guo F, Ma T, Ren Y, Liu Q, Zhou L, Gu S, Janik MJ, Li W. BCC-Phased PdCu Alloy as a Highly Active Electrocatalyst for Hydrogen Oxidation in Alkaline Electrolytes. Journal of the American Chemical Society. PMID 30396270 DOI: 10.1021/jacs.8b08356  1
2018 McCrum IT, Chen X, Schwarz KA, Janik MJ, Koper MTM. Effect of Step Density and Orientation on the Apparent pH Dependence of Hydrogen and Hydroxide Adsorption on Stepped Platinum Surfaces. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 122: 16756-16764. PMID 30258524 DOI: 10.1021/acs.jpcc.8b03660  1
2018 Jonayat ASM, Chen S, van Duin ACT, Janik MJ. Predicting Monolayer Oxide Stability over Low-index Surfaces of TiO2 Polymorphs Using ab Initio Thermodynamics. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30168723 DOI: 10.1021/acs.langmuir.8b02426  0.68
2018 Kumar G, Van Cleve TB, Park J, van Duin ACT, Medlin JW, Janik MJ. Thermodynamics of alkanethiol self-assembled monolayer assembly on Pd surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29767994 DOI: 10.1021/acs.langmuir.7b04351  0.68
2018 Jonayat ASM, Kramer A, Bignardi L, Lacovig P, Lizzit S, van Duin ACT, Batzill M, Janik MJ. A first-principles study of stability of surface confined mixed metal oxides with corundum structure (FeO, CrO, VO). Physical Chemistry Chemical Physics : Pccp. PMID 29479602 DOI: 10.1039/c8cp00154e  0.68
2017 Liang T, Antony AC, Akhade SA, Janik MJ, Sinnott SB. Applied Potentials in Variable Charge Reactive Force Fields for Electrochemical Systems. The Journal of Physical Chemistry. A. PMID 29257690 DOI: 10.1021/acs.jpca.7b06064  1
2017 Chen X, McCrum I, Schwarz K, Janik M, Koper MTM. Co-adsorption of cations causes the apparent pH dependence of hydrogen adsorption on a stepped platinum single-crystal electrode. Angewandte Chemie (International Ed. in English). PMID 28987066 DOI: 10.1002/anie.201709455  0.48
2017 McCrum IT, Hickner MA, Janik MJ. First Principles Calculation of Pt Surface Energies in an Electrochemical Environment: Thermodynamic Driving Forces for Surface Faceting and Nanoparticle Reconstruction. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28640641 DOI: 10.1021/acs.langmuir.7b01530  1
2016 Spanjers CS, Guillo P, Tilley TD, Janik MJ, Rioux RM. Identification of Second Shell Coordination in Transition Metal Species using Theoretical XANES: Example of Ti-O-(C,Si,Ge) Complexes. The Journal of Physical Chemistry. A. PMID 27951643 DOI: 10.1021/acs.jpca.6b12197  0.36
2016 Antony AC, Liang T, Akhade SA, Janik MJ, Phillpot SR, Sinnott SB. Effect of surface chemistry on water interaction with Cu(111). Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27442055 DOI: 10.1021/acs.langmuir.6b01974  1
2015 Strayer ME, Senftle TP, Winterstein JP, Vargas-Barbosa NM, Sharma R, Rioux RM, Janik MJ, Mallouk TE. Charge transfer stabilization of late transition metal oxide nanoparticles on a layered niobate support. Journal of the American Chemical Society. PMID 26651875 DOI: 10.1021/jacs.5b11230  1
2015 Sitamraju S, Xiao J, Janik MJ, Song C. 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: 5903-5913. DOI: 10.1021/jp510326h  0.68
2015 Krcha MD, Janik MJ. Catalytic propane reforming mechanism over Mn-Doped CeO2 (111) Surface Science. DOI: 10.1016/j.susc.2015.02.012  1
2015 Krcha MD, Dooley KM, Janik MJ. Alkane reforming on partially sulfided CeO2 (1 1 1) surfaces Journal of Catalysis. 330: 167-176. DOI: 10.1016/j.jcat.2015.07.002  1
2015 McCrum IT, Akhade SA, Janik MJ. Electrochemical specific adsorption of halides on Cu 111,100, and 211: A density functional theory study Electrochimica Acta. 173: 302-309. DOI: 10.1016/j.electacta.2015.05.036  1
2015 Kuang H, Janik MJ, Gomez ED. Quantifying the role of interfacial width on intermolecular charge recombination in block copolymer photovoltaics Journal of Polymer Science, Part B: Polymer Physics. 53: 1224-1230. DOI: 10.1002/polb.23757  1
2015 Smith BH, Clark MB, Kuang H, Grieco C, Larsen AV, Zhu C, Wang C, Hexemer A, Asbury JB, Janik MJ, Gomez ED. Controlling Polymorphism in Poly(3-Hexylthiophene) through Addition of Ferrocene for Enhanced Charge Mobilities in Thin-Film Transistors Advanced Functional Materials. DOI: 10.1002/adfm.201403089  1
2014 Akhade SA, Luo W, Nie X, Bernstein NJ, Asthagiri A, Janik MJ. Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals. Physical Chemistry Chemical Physics : Pccp. 16: 20429-35. PMID 25165989 DOI: 10.1039/c4cp03340j  1
2014 Spanjers CS, Senftle TP, van Duin AC, Janik MJ, Frenkel AI, Rioux RM. Illuminating surface atoms in nanoclusters by differential X-ray absorption spectroscopy. Physical Chemistry Chemical Physics : Pccp. 16: 26528-38. PMID 25054561 DOI: 10.1039/c4cp02146k  1
2014 Addou R, Senftle TP, O'Connor N, Janik MJ, van Duin AC, Batzill M. Influence of hydroxyls on Pd atom mobility and clustering on rutile TiO(2)(011)-2 × 1. Acs Nano. 8: 6321-33. PMID 24806092 DOI: 10.1021/nn501817w  1
2014 Mills JN, McCrum IT, Janik MJ. Alkali cation specific adsorption onto fcc(111) transition metal electrodes. Physical Chemistry Chemical Physics : Pccp. 16: 13699-707. PMID 24722828 DOI: 10.1039/c4cp00760c  1
2014 Bernstein NJ, Akhade SA, Janik MJ. Density functional theory study of carbon dioxide electrochemical reduction on the Fe(100) surface. Physical Chemistry Chemical Physics : Pccp. 16: 13708-17. PMID 24722651 DOI: 10.1039/c4cp00266k  1
2014 Xiao J, Sitamraju S, Janik MJ. CO2 adsorption thermodynamics over N-substituted/grafted graphanes: a DFT study. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 1837-44. PMID 24475953 DOI: 10.1021/la4048837  0.48
2014 Krcha MD, Janik MJ. Catalytic propane reforming mechanism over Zr-doped CeO2 (111) Catalysis Science and Technology. 4: 3278-3289. DOI: 10.1039/c4cy00619d  1
2014 Spivey JJ, Krishna KS, Kumar CSSR, Dooley KM, Flake JC, Haber LH, Xu Y, Janik MJ, Sinnott SB, Cheng YT, Liang T, Sholl DS, Manz TA, Diebold U, Parkinson GS, et al. Synthesis, characterization, and computation of catalysts at the center for atomic-level catalyst design Journal of Physical Chemistry C. 118: 20043-20069. DOI: 10.1021/jp502556u  1
2014 Senftle TP, Janik MJ, Van Duin ACT. A ReaxFF investigation of hydride formation in palladium nanoclusters via Monte Carlo and molecular dynamics simulations Journal of Physical Chemistry C. 118: 4967-4981. DOI: 10.1021/jp411015a  1
2014 Spanjers CS, Held JT, Jones MJ, Stanley DD, Sim RS, Janik MJ, Rioux RM. Zinc inclusion to heterogeneous nickel catalysts reduces oligomerization during the semi-hydrogenation of acetylene Journal of Catalysis. 316: 164-173. DOI: 10.1016/j.jcat.2014.05.007  1
2014 Nie X, Luo W, Janik MJ, Asthagiri A. Reaction mechanisms of CO2 electrochemical reduction on Cu(1 1 1) determined with density functional theory Journal of Catalysis. 312: 108-122. DOI: 10.1016/j.jcat.2014.01.013  0.48
2014 Lee K, Lee E, Song C, Janik MJ. Density functional theory study of propane steam reforming on Rh-Ni bimetallic surface: Sulfur tolerance and scaling/Brønsted-Evans-Polanyi relations Journal of Catalysis. 309: 248-259. DOI: 10.1016/j.jcat.2013.10.006  0.68
2014 Wu L, Sitamraju S, Xiao J, Liu B, Li Z, Janik MJ, Song C. Effect of liquid-phase O3 oxidation of activated carbon on the adsorption of thiophene Chemical Engineering Journal. 242: 211-219. DOI: 10.1016/j.cej.2013.12.077  0.68
2014 Nie X, Griffin GL, Janik MJ, Asthagiri A. Surface phases of Cu2O(111) under CO2 electrochemical reduction conditions Catalysis Communications. 52: 88-91. DOI: 10.1016/j.catcom.2014.02.022  1
2014 Senftle TP, Van Duin ACT, Janik MJ. Determining in situ phases of a nanoparticle catalyst via grand canonical Monte Carlo simulations with the ReaxFF potential Catalysis Communications. 52: 72-77. DOI: 10.1016/j.catcom.2013.12.001  1
2014 Liang T, Cheng YT, Nie X, Luo W, Asthagiri A, Janik MJ, Andrews E, Flake J, Sinnott SB. Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(101̄0) using charge optimized many body potentials Catalysis Communications. 52: 84-87. DOI: 10.1016/j.catcom.2013.11.033  1
2014 Krcha MD, Janik MJ. Challenges in the use of density functional theory to examine catalysis by M-doped ceria surfaces International Journal of Quantum Chemistry. 114: 8-13. DOI: 10.1002/qua.24548  1
2013 Shiau HS, Liu W, Colby RH, Janik MJ. Cluster-continuum quantum mechanical models to guide the choice of anions for Li(+)-conducting ionomers. The Journal of Chemical Physics. 139: 204905. PMID 24289377 DOI: 10.1063/1.4832044  1
2013 Grisewood MJ, Gifford NP, Pantazes RJ, Li Y, Cirino PC, Janik MJ, Maranas CD. OptZyme: computational enzyme redesign using transition state analogues. Plos One. 8: e75358. PMID 24116038 DOI: 10.1371/journal.pone.0075358  1
2013 Senftle TP, Meyer RJ, Janik MJ, van Duin AC. Development of a ReaxFF potential for Pd∕O and application to palladium oxide formation. The Journal of Chemical Physics. 139: 044109. PMID 23901962 DOI: 10.1063/1.4815820  0.64
2013 Krcha MD, Janik MJ. Examination of oxygen vacancy formation in Mn-doped CeO2 (111) using DFT+U and the hybrid functional HSE06. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 10120-31. PMID 23848253 DOI: 10.1021/la401747n  1
2013 Nie X, Esopi MR, Janik MJ, Asthagiri A. Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps. Angewandte Chemie (International Ed. in English). 52: 2459-62. PMID 23345201 DOI: 10.1002/anie.201208320  0.56
2013 Senftle TP, Meyer RJ, Janik MJ, Van Duin ACT. Development of a ReaxFF potential for Pd/O and application to palladium oxide formation Journal of Chemical Physics. 139. DOI: 10.1063/1.4815820  1
2013 Yeh KY, Janik MJ, Maranas JK. Molecular dynamics simulations of an electrified water/Pt(1 1 1) interface using point charge dissociative water Electrochimica Acta. 101: 308-325. DOI: 10.1016/j.electacta.2013.03.107  1
2013 Yeh KY, Restaino NA, Esopi MR, Maranas JK, Janik MJ. The adsorption of bisulfate and sulfate anions over a Pt(1 1 1) electrode: A first principle study of adsorption configurations, vibrational frequencies and linear sweep voltammogram simulations Catalysis Today. 202: 20-35. DOI: 10.1016/j.cattod.2012.03.011  1
2013 Esopi M, Regula M, Nie X, Asthagiri A, Janik MJ. Electrode potential dependent activation barriers approximated with density functional theory Engineering Sciences and Fundamentals 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 2: 928.  0.48
2012 Nie X, Janik MJ, Guo X, Song C. A computational investigation of ring-shift isomerization of sym-octahydrophenanthrene to sym-octahydroanthracene catalyzed by acidic zeolites. Physical Chemistry Chemical Physics : Pccp. 14: 16644-53. PMID 23015038 DOI: 10.1039/c2cp41824j  0.68
2012 Lee K, Song C, Janik MJ. Ab initio thermodynamics examination of sulfur species present on Rh, Ni, and binary Rh-Ni surfaces under steam reforming reaction conditions. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 5660-8. PMID 22385258 DOI: 10.1021/la300129z  0.68
2012 Duan Y, Luebke DR, Pennline HW, Li B, Janik MJ, Halley JW. Ab initio thermodynamic study of the CO 2 capture properties of potassium carbonate sesquihydrate, K 2CO 3·1.5H 2O Journal of Physical Chemistry C. 116: 14461-14470. DOI: 10.1021/jp303844t  1
2012 Nie X, Janik MJ, Guo X, Song C. Shape-selective methylation of 2-methylnaphthalene with methanol over H-ZSM-5 zeolite: A computational study Journal of Physical Chemistry C. 116: 4071-4082. DOI: 10.1021/jp209337m  0.68
2012 Guo J, Janik MJ, Song C. Density functional theory study on the role of ceria addition in Ti xCe 1-xO 2 adsorbents for thiophene adsorption Journal of Physical Chemistry C. 116: 3457-3466. DOI: 10.1021/jp2063996  0.68
2012 Li R, Krcha MD, Janik MJ, Roy AD, Dooley KM. Ce-Mn oxides for high-temperature gasifier effluent desulfurization Energy and Fuels. 26: 6765-6776. DOI: 10.1021/ef301386f  1
2012 Liu W, Janik MJ, Colby RH. First principles design of ionomers for facile ion transport Acs Symposium Series. 1096: 19-44. DOI: 10.1021/bk-2012-1096.ch002  1
2012 Krcha MD, Mayernick AD, Janik MJ. Periodic trends of oxygen vacancy formation and C-H bond activation over transition metal-doped CeO 2 (1 1 1) surfaces Journal of Catalysis. 293: 103-115. DOI: 10.1016/j.jcat.2012.06.010  1
2012 Sitamraju S, Janik MJ, Song C. Selectivity of adsorption of thiophene and its derivatives on titania anatase surfaces: A density functional theory study Topics in Catalysis. 55: 229-242. DOI: 10.1007/s11244-012-9807-1  0.68
2012 Spanjers C, Held J, Jana S, Janik MJ, Rioux RM. Ni-based bimetallic catalysts for acetylene semi-hydrogenation Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.36
2012 Nie X, Luo W, Asthagiri A, Esopi M, Janik MJ. DFT studies of CO2 electrochemical reduction reactions on Cu-based catalysts Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.48
2012 Lee K, Lee E, Song C, Janik MJ. Density functional theory study of high sulfur tolerant Rh-Ni bimetallic catalysts in steam reforming reactions Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.68
2012 Krcha MD, Li R, Janik MJ, Dooley KM. Density functional theory evaluation of m-doped ceria for desulfurization and hydrocarbon conversion Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2011 Yeh KY, Janik MJ. 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: 3399-408. PMID 21898466 DOI: 10.1002/jcc.21919  0.96
2011 Mayernick AD, Li R, Dooley KM, Janik MJ. Energetics and mechanism for H 2S adsorption by ceria-lanthanide mixed oxides: Implications for the desulfurization of biomass gasifier effluents Journal of Physical Chemistry C. 115: 24178-24188. DOI: 10.1021/jp206827n  1
2011 Guo J, Xie C, Lee K, Guo N, Miller JT, Janik MJ, Song C. 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: 574-582. DOI: 10.1021/cs2000472  0.68
2011 Mullen GM, Janik MJ. Density functional theory study of alkane-alkoxide hydride transfer in zeolites Acs Catalysis. 1: 105-115. DOI: 10.1021/cs1000619  1
2011 Rostamikia G, Mendoza AJ, Hickner MA, Janik MJ. First-principles based microkinetic modeling of borohydride oxidation on a Au(1 1 1) electrode Journal of Power Sources. 196: 9228-9237. DOI: 10.1016/j.jpowsour.2011.07.042  1
2011 Mayernick AD, Janik MJ. Methane oxidation on Pd-Ceria: A DFT study of the mechanism over Pd xCe1-xO2, Pd, and PdO Journal of Catalysis. 278: 16-25. DOI: 10.1016/j.jcat.2010.11.006  1
2011 Nie X, Janik MJ, Guo X, Liu X, Song C. Reaction mechanism of tert-butylation of phenol with tert-butyl alcohol over H-β zeolite: An ONIOM study Catalysis Today. 165: 120-128. DOI: 10.1016/j.cattod.2010.11.070  0.68
2011 Janik MJ, Sitamraju S, Guo J, Song C. Role of ceria in Ti 0.9Ce 0.1O 2 materials for adsorptive desulfurization 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 0.68
2011 Janik MJ, Krcha M, Mayernick AD, Dooley KM. Density functional theory studies of doped ceria systems: Alkane oxidation and desulfurization Acs National Meeting Book of Abstracts 1
2011 Yeh KY, Glasspool MV, Janik MJ, Maranas JK. Multi-scale modeling of a cathode/electrolyte interface in proton exchange membrane fuel cells (PEMFCs) 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 Janik MJ, Rostamikia G, Hickner MA. First principles guided design of borohydride oxidation electrocatalysts Acs National Meeting Book of Abstracts 1
2011 Krcha MD, Mayernick AD, Janik MJ, Dooley KM. Density functional theory evaluation of rare-earth oxides for biomass gasification effluent cleanup 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 Shiau HS, Liu W, Janik MJ, Colby RH. Cluster-continuum model study to guide the choice of anions for Li +-conducting ionomers Acs National Meeting Book of Abstracts 1
2010 Hoster HE, Janik MJ, Neurock M, Behm RJ. Pt promotion and spill-over processes during deposition and desorption of upd-H(ad) and OH(ad) on Pt(x)Ru(1-x)/Ru(0001) surface alloys. Physical Chemistry Chemical Physics : Pccp. 12: 10388-97. PMID 20596565 DOI: 10.1039/c003635h  1
2010 Rostamikia G, Janik MJ. Direct borohydride oxidation: Mechanism determination and design of alloy catalysts guided by density functional theory Energy and Environmental Science. 3: 1262-1274. DOI: 10.1039/c0ee00115e  1
2010 Lahiri J, Mayernick A, Morrow SL, Koel BE, Van Duin ACT, Janik MJ, Batzill M. Modification of active sites on YSZ(111) by yttria segregation Journal of Physical Chemistry C. 114: 5990-5996. DOI: 10.1021/jp9109964  1
2010 Mayernick AD, Batzill M, van Duin ACT, Janik MJ. A reactive force-field (ReaxFF) Monte Carlo study of surface enrichment and step structure on yttria-stabilized zirconia Surface Science. 604: 1438-1444. DOI: 10.1016/j.susc.2010.05.006  1
2010 Rostamikia G, Janik MJ. First principles mechanistic study of borohydride oxidation over the Pt(1 1 1) surface Electrochimica Acta. 55: 1175-1183. DOI: 10.1016/j.electacta.2009.10.002  1
2010 Guo J, Watanabe S, Janik MJ, Ma X, Song C. Density functional theory study on adsorption of thiophene on TiO2 anatase (0 0 1) surfaces Catalysis Today. 149: 218-223. DOI: 10.1016/j.cattod.2009.05.002  0.68
2010 Lee K, Song C, Janik MJ. Density functional theory study of sulfur tolerance of CO adsorption and dissociation on Rh-Ni binary metals Applied Catalysis a: General. 389: 122-130. DOI: 10.1016/j.apcata.2010.09.015  0.68
2010 Liu S, Liu W, Liu Y, Lin JH, Zhou X, Janik MJ, Colby RH, Zhang Q. Influence of imidazolium-based ionic liquids on the performance of ionic polymer conductor network composite actuators Polymer International. 59: 321-328. DOI: 10.1002/pi.2771  1
2009 Yeh KY, Wasileski SA, Janik MJ. Electronic structure models of oxygen adsorption at the solvated, electrified Pt(111) interface. Physical Chemistry Chemical Physics : Pccp. 11: 10108-17. PMID 19865766 DOI: 10.1039/b909233a  1
2009 Mayernick AD, Janik MJ. Ab initio thermodynamic evaluation of Pd atom interaction with CeO(2) surfaces. The Journal of Chemical Physics. 131: 084701. PMID 19725615 DOI: 10.1063/1.3207283  1
2009 Barnette AL, Asay DB, Kim D, Guyer BD, Lim H, Janik MJ, Kim SH. Experimental and density functional theory study of the tribochemical wear behavior of SiO2 in humid and alcohol vapor environments. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 13052-61. PMID 19715327 DOI: 10.1021/la901919z  1
2009 Rostamikia G, Janik MJ. Borohydride oxidation over Au(111): A first-principles mechanistic study relevant to direct borohydride fuel cells Journal of the Electrochemical Society. 156: B86-B92. DOI: 10.1149/1.3010382  1
2009 Janik MJ, Taylor CD, Neurock M. First-principles analysis of the initial electroreduction steps of oxygen over Pt(111) Journal of the Electrochemical Society. 156: B126-B135. DOI: 10.1149/1.3008005  1
2009 Janik MJ, Macht J, Iglesia E, Neurock M. Correlating acid properties and catalytic function: a first-principles analysis of alcohol dehydration pathways on polyoxometalates Journal of Physical Chemistry C. 113: 1872-1885. DOI: 10.1021/jp8078748  1
2009 Janik MJ, Rostamikia G. Design of electrocatalysts for direct borohydride oxidation Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 1
2009 Yeh KY, Janik MJ. Evaluation of electronic structure models of the electrocatalytic interface Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 0.96
2009 Guo J, Xie C, Lee K, Song C, Janik MJ. Improving the carbon resistance of reforming Ni catalysts by alloying with Rh Acs National Meeting Book of Abstracts 0.68
2009 Mayernick AD, Janik MJ, Van Duin ACT, Batzill M. Step formation on yttria-stabilized zirconia: Combining DFT and reactive force fields to interpret surface characterization Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 1
2009 Yeh KY, Janik MJ. Oxygen adsorption and dissociation on Pt(111): Impact of water structure, electric field, and electrode potential Acs National Meeting Book of Abstracts 0.96
2009 Mayernick AD, Janik MJ. First-principles study of methane electro-oxidation over Pd-ceria catalysts Acs National Meeting Book of Abstracts 1
2009 Mayernick AD, Janik MJ. Hydrocarbon electro-oxidation on Pd-ceria: A DFT investigation of the surface structure and catalytic activity Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 1
2009 Lee K, Janik MJ, Xie C, Song C. Enhanced sulfur tolerance of Ni-Rh alloys for reforming and methanation reactions Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 0.68
2009 Yeh KY, Janik MJ. Ion adsorption and electrode-electrolyte interfacial structure effects on oxygen adsorption Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 0.96
2009 Guo J, Watanabe S, Ma X, Janik MJ, Song C. Computational study on adsorption of thiophene over TiO2 and Ce-doped TiO2 anatase (001) surfaces Acs National Meeting Book of Abstracts 0.68
2008 Macht J, Janik MJ, Neurock M, Iglesia E. Mechanistic consequences of composition in acid catalysis by polyoxometalate keggin clusters. Journal of the American Chemical Society. 130: 10369-79. PMID 18613662 DOI: 10.1021/ja803114r  1
2008 Wasileski SA, Janik MJ. A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects. Physical Chemistry Chemical Physics : Pccp. 10: 3613-27. PMID 18563222 DOI: 10.1039/b803157f  1
2008 Rostamikia G, Janik MJ. A First principles study of direct oxidation of aqueous borohydride on Au and Pt surfaces Ecs Transactions. 16: 1869-1876. DOI: 10.1149/1.2982027  1
2008 Janik MJ, Yeh KY, Boland EK, Maranas JK. Co-adsorption and electrode-electrolyte interfacial structure effects on oxygen dissociation and reduction energetics Aiche Annual Meeting, Conference Proceedings 1
2008 Rostamikia G, Janik MJ. A first principles study of direct electrooxidation of aqueous borohydride on Au and Pt surfaces Aiche 100 - 2008 Aiche Annual Meeting, Conference Proceedings 1
2008 Rostamikia G, Janik MJ. Density functional theory methods for modeling electrocatalysis: Application to borohydride oxidation over Au and Pt(111) Aiche Annual Meeting, Conference Proceedings 1
2008 Mayernick AD, Janik MJ. Ab initio studies of ceria-based oxides for direct hydrocarbon oxidation Aiche Annual Meeting, Conference Proceedings 1
2007 Macht J, Janik MJ, Neurock M, Iglesia E. Catalytic consequences of composition in polyoxometalate clusters with Keggin structure. Angewandte Chemie (International Ed. in English). 46: 7864-8. PMID 17828722 DOI: 10.1002/anie.200701292  1
2006 Rossmeisl J, Nørskov JK, Taylor CD, Janik MJ, Neurock M. Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111). The Journal of Physical Chemistry. B. 110: 21833-9. PMID 17064147 DOI: 10.1021/jp0631735  1
2006 Janik MJ, Bardin BB, Davis RJ, Neurock M. A quantum chemical study of the decomposition of Keggin-structured heteropolyacids. The Journal of Physical Chemistry. B. 110: 4170-8. PMID 16509711 DOI: 10.1021/jp0553176  1
2005 Yang J, Janik MJ, Ma D, Zheng A, Zhang M, Neurock M, Davis RJ, Ye C, Deng F. Location, acid strength, and mobility of the acidic protons in Keggin 12-H3PW12O40: a combined solid-state NMR spectroscopy and DFT quantum chemical calculation study. Journal of the American Chemical Society. 127: 18274-80. PMID 16366582 DOI: 10.1021/ja055925z  1
2005 Campbell KA, Janik MJ, Davis RJ, Neurock M. Ab initio and microcalorimetric investigations of alkene adsorption on phosphotungstic acid. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 4738-45. PMID 16032898 DOI: 10.1021/la047395a  1
2005 Janik MJ, Davis RJ, Neurock M. Anhydrous and water-assisted proton mobility in phosphotungstic acid. Journal of the American Chemical Society. 127: 5238-45. PMID 15810859 DOI: 10.1021/ja042742o  1
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