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
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
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
Clarifying cation control: Electrocatalysis mechanisms
Janik, M. J., Jan 2025, In: Nature Catalysis. 8, 1, p. 9-10 2 p.Research output: Contribution to journal › Comment/debate › peer-review
InPd3 and InPd2Cu Intermetallic Catalysts for Selective Hydrogenation Catalysis
Li, J., Gong, R., Roy, N., Liu, Z. K. & Janik, M. J., Mar 26 2025, In: Industrial and Engineering Chemistry Research. 64, 12, p. 6354-6363 10 p.Research output: Contribution to journal › Article › peer-review
Alkali Cation Inhibition of Imidazolium-Mediated Electrochemical CO2 Reduction on Silver
Nkurunziza, F., Dongare, S., Chatterjee, S., Shah, B., Gautam, M., Muchharla, B., Kumar, B., Janik, M. J., Gurkan, B., Sacci, R. L. & Spurgeon, J. M., Mar 5 2025, In: Journal of the American Chemical Society. 147, 9, p. 7564-7577 14 p.Research output: Contribution to journal › Article › peer-review
Identifying Elementary Reaction Kinetics of Heterogeneous Catalytic Mechanisms Using Pseudorandom Binary Sequence-Induced Transients
Wang, R., Weber, Z., Janik, M. J., Rioux, R. M. & Armaou, A., Feb 7 2025, In: ACS Catalysis. 15, 3, p. 2677-2689 13 p.Research output: Contribution to journal › Article › peer-review
An efficient approach to compartmentalize double layer effects on kinetics of interfacial proton-electron transfer reactions
Agrawal, N., Wong, A. J. W., Maheshwari, S. & Janik, M. J., Feb 2024, In: Journal of Catalysis. 430, 115360.Research output: Contribution to journal › Article › peer-review
Preface to the First Edition
Asthagiri, A. & Janik, M. J., Dec 20 2024, In: RSC Catalysis Series. 48, p. ix-xResearch output: Contribution to journal › Editorial › peer-review
Preface to the Second Edition
Asthagiri, A. & Janik, M., Dec 20 2024, In: RSC Catalysis Series. 48, p. VII-VIIIResearch output: Contribution to journal › Editorial › peer-review
Negative Reaction Order for CO during CO2 Electroreduction on Au
Cui, Z., Wong, A. J. W., Janik, M. J. & Co, A. C., Aug 28 2024, In: Journal of the American Chemical Society. 146, 34, p. 23872-23880 9 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., 2024, (Accepted/In press) In: Catalysis Reviews - Science and Engineering.Research output: Contribution to journal › Review article › peer-review
Quantifying the Affinity Difference between Lithium and Close Identity Ions Using ETS-10 Titanosilicate
Guo, W. K., Rosko, E., Zeszutek, G., DeVore, U., Zhang, X., Janik, M. J. & Noh, G., Apr 10 2024, In: Industrial and Engineering Chemistry Research. 63, 14, p. 6325-6332 8 p.Research output: Contribution to journal › Article › peer-review
WIP: Chemical Engineering Faculty Attitudes Towards Evidence-based Instruction Practices and Growth Mindset
Hillsley, M. V., High, K. A., Velegol, S. B., Janik, M. J. & Brown, J. S., Jun 23 2024, In: ASEE Annual Conference and Exposition, Conference Proceedings.Research output: Contribution to journal › Conference article › peer-review