Michael Janik

Associate Director, Institute of Energy and the Environment
Titles and Affiliations
Professor, Chemical Engineering

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

Research Keywords

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Recent Publications

Tight-binding model describes frontier orbitals of non-fullerene acceptors

Jindal, V., Janik, M. J. & Milner, S. T., 2024, (Accepted/In press) In: Molecular Systems Design and Engineering.

Research output: Contribution to journalArticlepeer-review

Deconvoluting charge-transfer, mass transfer, and ohmic resistances in phosphonic acid-sulfonic acid ionomer binders used in electrochemical hydrogen pumps

Arunagiri, K., Wong, A. J. W., Briceno-Mena, L., Elsayed, H. M. G. H., Romagnoli, J. A., Janik, M. J. & Arges, C. G., Oct 17 2023, In: Energy and Environmental Science. 16, 12, p. 5916-5932 17 p.

Research output: Contribution to journalArticlepeer-review

Toward Understanding and Controlling Organic Reactions on Metal Oxide Catalysts

Fung, V., Janik, M., Crossley, S., Chin, Y. H. C. & Savara, A., Jul 20 2023, In: Journal of Physical Chemistry C. 127, 28, p. 13451-13465 15 p.

Research output: Contribution to journalReview articlepeer-review

Active-site isolation in intermetallics enables precise identification of elementary reaction kinetics during olefin hydrogenation

He, H., Canning, G. A., Nguyen, A., Dasgupta, A., Meyer, R. J., Rioux, R. M. & Janik, M. J., Jul 2023, In: Nature Catalysis. 6, 7, p. 596-605 10 p.

Research output: Contribution to journalArticlepeer-review

Cation Incorporation into Copper Oxide Lattice at Highly Oxidizing Potentials

Ostervold, L., Smerigan, A., Liu, M. J., Filardi, L. R., Vila, F. D., Perez-Aguilar, J. E., Hong, J., Tarpeh, W. A., Hoffman, A. S., Greenlee, L. F., Clark, E. L., Janik, M. J. & Bare, S. R., Oct 11 2023, In: ACS Applied Materials and Interfaces. 15, 40, p. 47025-47036 12 p.

Research output: Contribution to journalArticlepeer-review

Identifying the Local Atomic Environment of the “Cu3+” State in Alkaline Electrochemical Systems

Ostervold, L., Daneshpour, R., Facchinei, M., Tran, B., Wetherington, M., Alexopoulos, K., Greenlee, L. & Janik, M. J., Jun 14 2023, In: ACS Applied Materials and Interfaces. 15, 23, p. 27878-27892 15 p.

Research output: Contribution to journalArticlepeer-review

Combining Renewable Electricity and Renewable Carbon: Understanding Reaction Mechanisms of Biomass-Derived Furanic Compounds for Design of Catalytic Nanomaterials

Ramos, N. C., Manyé Ibáñez, M., Mittal, R., Janik, M. J. & Holewinski, A., Oct 3 2023, In: Accounts of Chemical Research. 56, 19, p. 2631-2641 11 p.

Research output: Contribution to journalArticlepeer-review

Negative Dielectric Constant of Water at a Metal Interface

Tran, B., Zhou, Y., Janik, M. J. & Milner, S. T., Dec 15 2023, In: Physical review letters. 131, 24, 248001.

Research output: Contribution to journalArticlepeer-review

Stabilization of Dinuclear Rhodium and Iridium Clusters on Layered Titanate and Niobate Supports

Uppuluri, R., Hwang, S., Maheshwari, S., Zhao, P., Gray, J. L., Rosas, A. S., Yennawar, H. P., Fan, X., Janik, M. J. & Mallouk, T. E., Jan 23 2023, In: Inorganic chemistry. 62, 3, p. 1113-1121 9 p.

Research output: Contribution to journalArticlepeer-review

Investigating the electrocatalytic reduction of 2,4,6-tri-nitro-toluene (TNT) using density functional theory methods

Wong, A. J. W., Miller, J. L., Perdue, B. & Janik, M. J., May 25 2023, In: Green Chemistry. 25, 13, p. 5097-5112 16 p.

Research output: Contribution to journalArticlepeer-review

Atomic control of active-site ensembles in ordered alloys to enhance hydrogenation selectivity

Dasgupta, A., He, H., Gong, R., Shang, S. L., Zimmerer, E. K., Meyer, R. J., Liu, Z. K., Janik, M. J. & Rioux, R. M., May 2022, In: Nature Chemistry. 14, 5, p. 523-529 7 p.

Research output: Contribution to journalArticlepeer-review

Corrigendum to “Reaction paths for hydrodeoxygenation of furfuryl alcohol at TiO2/Pd interfaces” [J. Catal. 377 (2019) 28–40] (Journal of Catalysis (2019) 377 (28–40), (S0021951719303161), (10.1016/j.jcat.2019.07.012))

Deo, S., Medlin, W., Nikolla, E. & Janik, M. J., Jan 2022, In: Journal of Catalysis. 405, p. 653-655 3 p.

Research output: Contribution to journalComment/debatepeer-review

Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts

Gong, R., Shang, S. L., Sun, H., Janik, M. J. & Liu, Z. K., Dec 2022, In: Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 79, 102491.

Research output: Contribution to journalArticlepeer-review

ATR-SEIRAS Investigation of the Electro-oxidation Mechanism of Biomass-Derived C5Furanics on Platinum Electrodes

Hasse, J. C., Agrawal, N., Janik, M. J. & Holewinski, A., Apr 28 2022, In: Journal of Physical Chemistry C. 126, 16, p. 7054-7065 12 p.

Research output: Contribution to journalArticlepeer-review

Hydrogen Activation and Spillover on Anatase TiO2-Supported Ag Single-Atom Catalysts

Hu, J., Kim, E. M., Janik, M. J. & Alexopoulos, K., May 5 2022, In: Journal of Physical Chemistry C. 126, 17, p. 7482-7491 10 p.

Research output: Contribution to journalArticlepeer-review