Michael Janik
Research Summary
Atomistic modeling approaches to study systems of relevance for advanced energy conversion technology. The majority of ongoing projects examine electrocatalytic systems, applying first principles modeling techniques to determine reaction mechanism and advance the design of electrode materials for fuel cells.Projects are also looking at the development of polymer electrolytes for lithium ion batteries, fossil fuel reforming and desulfurization, and biomass conversion to liquid fuels.
In the News
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Recent Publications
Redox-dependent mobility of small silver clusters on TiO₂ via machine learning-assisted first-principles kinetic Monte Carlo
Asadi, S., Li, J., Janik, M. J. & Alexopoulos, K., Jul 2026, In: Molecular Catalysis. 600, 116055.Research output: Contribution to journal › Article › peer-review
Toward a dynamic paradigm in computational catalysis: from structural and mechanistic insights to predictive modeling
Chizallet, C., Janik, M., Payard, P. A. & Rousseau, R., Sep 2026, In: Journal of Catalysis. 461, 117001.Research output: Contribution to journal › Editorial › peer-review
Facet Preferencing by Chemical Substitution Controls Semi-Hydrogenation Selectivity in Ternary Pyrite-Type Intermetallic Compounds
Eid, M., Li, J., Roy, N., MacIntosh, K., Janik, M. J. & Rioux, R. M., Feb 6 2026, In: ACS Catalysis. 16, 3, p. 2881-2890 10 p.Research output: Contribution to journal › Article › peer-review
Substitution of Pd with Cu and Ag in InPd3 intermetallics enhances net alkene selectivity in competitive acetylene hydrogenation
Eid, M., Li, J., Roy, N., MacIntosh, K., Rioux, R. M. & Janik, M. J., Oct 2026, In: Journal of Catalysis. 462, 117083.Research output: Contribution to journal › Article › peer-review
Alkali Cation-Mediated Modulation of CO2 Reduction Activity on Tin Electrodes in [EMIM][BF4]/H2O Electrolytes
Muchharla, B., Gautam, M., Nkurunziza, F., Ross, R. D., Chatterjee, S., Spurgeon, J. M., Hahn, C., Janik, M. J. & Kumar, B., Aug 6 2026, In: ACS Electrochemistry. 2, 8, p. 1831-1840 10 p.Research output: Contribution to journal › Article › peer-review
A Multisite Microkinetic Framework for Describing Interfacial Kinetics in Dry Methane Reforming (DRM) over Ni-CeO2Catalysts
Padmanabha Naveen, N. S., Dooley, K. M., Janik, M. J., Noh, G. & Alexopoulos, K., Feb 6 2026, In: ACS Catalysis. 16, 3, p. 2535-2549 15 p.Research output: Contribution to journal › Article › peer-review
CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17): Site-Selective Substitution, Electronic Structure, Chemical Bonding, and Structural Transformation
Roy, N., Nag, J., Corrêa, C. A., Li, J., Petříček, V., Dušek, M., Proffen, T., Janik, M. J. & Rioux, R. M., Aug 17 2026, In: Inorganic chemistry. 65, 32, p. 18608-18620 13 p.Research output: Contribution to journal › Article › peer-review
Effects of Redox Environment on Mobility of Single-Atom Catalysts (Silver/Copper) Supported on Titania
Asadi, S., Janik, M. J. & Alexopoulos, K., Jul 16 2025, In: Industrial and Engineering Chemistry Research. 64, 28, p. 14042-14053 12 p.Research output: Contribution to journal › Article › peer-review
Cation effects on CO2 reduction catalyzed by single-crystal and polycrystalline gold under well-defined mass transport conditions
Cui, Z., Wong, A. J. W., Janik, M. J. & Co, A. C., Feb 7 2025, In: Science Advances. 11, 6, eadr6465.Research output: Contribution to journal › Article › peer-review
Dynamic Variation of Ni and Pt Single Atom Oxidation States on CeO2Nanocubes during CO Oxidation
Eudy, K., Deo, S., Weber, Z. M., Janik, M. J. & Rioux, R. M., 2025, In: ACS Catalysis. 15, p. 16674-16689 16 p.Research output: Contribution to journal › Article › peer-review
Unimolecular and bimolecular reactions of organic intermediates on metal oxide catalysts: an update
Fung, V., Janik, M., Crossley, S., Chin, Y. H. C. & Savara, A., 2025, In: Catalysis Reviews - Science and Engineering. 67, 4, p. 1060-1125 66 p.Research output: Contribution to journal › Review article › peer-review
Determination of Site Occupancy in the M-Pd-Zn (M = Cu, Ag, and Au) γ-Brass Phase by CALculation of PHAse Diagrams Modeling and Rietveld Refinement
Gong, R., Dasgupta, A., Shang, S. L., He, H., Kirkham, M., Zimmerer, E. K., Canning, G. A., Janik, M. J., Rioux, R. M. & Liu, Z. K., Feb 3 2025, In: Inorganic chemistry. 64, 4, p. 1690-1701 12 p.Research output: Contribution to journal › Article › peer-review
Alkali and alkaline earth ion exchange affinity in ETS-10 toward aqueous lithium separation
Guo, W. K., Zhu, D. R., Zeszutek, G., Rosko, E., Janik, M. J. & Noh, G., Feb 1 2025, In: Microporous and Mesoporous Materials. 383, 113403.Research output: Contribution to journal › Article › peer-review
Hydride-mediated chemoselective C-H bond formation during benzoic acid hydrodeoxygenation on anatase TiO2
Hwang, M., Hu, J., Janik, M. J. & Alexopoulos, K., Mar 4 2025, In: Reaction Chemistry and Engineering. 10, 6, p. 1244-1258 15 p.Research output: Contribution to journal › Article › peer-review
Oxygen Vacancy and Adsorbed Hydride Formation on Metal-Substituted Anatase TiO2and Generalization Across Doped Metal Oxide Surfaces
Hwang, M., Janik, M. J. & Alexopoulos, K., Nov 6 2025, In: Energy and Fuels. 39, 44, p. 21511-21521 11 p.Research output: Contribution to journal › Article › peer-review
