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.
Research Keywords
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Recent Publications
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., 2021, (Accepted/In press) In: Journal of Catalysis.Research output: Contribution to journal › Comment/debate › peer-review
Ring-opening and hydrodenitrogenation of indole under hydrothermal conditions over Ni, Pt, Ru, and Ni-Ru bimetallic catalysts
Guo, Y., He, H., Liu, X., Chen, Z., Rioux, R. M., Janik, M. J. & Savage, P. E., Feb 15 2021, In: Chemical Engineering Journal. 406, 126853.Research output: Contribution to journal › Article › peer-review
Preface to the special issue honoring Chunshan Song: 2019 ACS George A. Olah award—A tribute to Professor Chunshan Song
Janik, M., Turaga, U., Fox, E. B. & Guo, X., Jul 1 2021, In: Catalysis Today. 371, p. 1-3 3 p.Research output: Contribution to journal › Editorial › peer-review
Mechanistic Insight into the Hydrodeoxygenation of Hydroquinone over Au/ a-TiO2Catalyst
Nie, X., Wan, W., Zhang, Z., Chen, Y., Janik, M. J., Song, C. & Guo, X., Apr 1 2021, In: Journal of Physical Chemistry C. 125, 12, p. 6660-6672 13 p.Research output: Contribution to journal › Article › peer-review
Synchronized C−H activations at proximate dinuclear Pd2+ sites on silicotungstate for oxidative C−C coupling
Ramineni, K., Liu, K., Zhang, C., Chen, X., Hou, G., Gao, P., Balaga, R., Marri, M. R., Yan, P., Guan, X., Xia, Z., Janik, M. J. & Zhang, Z. C., Mar 19 2021, In: ACS Catalysis. 11, 6, p. 3455-3465 11 p.Research output: Contribution to journal › Article › peer-review
Polaron hopping barriers and rates in semiconducting polymers
Bombile, J. H., Shetty, S., Janik, M. J. & Milner, S. T., Feb 19 2020, In: Physical chemistry chemical physics : PCCP. 22, 7, p. 4032-4042 11 p.Research output: Contribution to journal › Article › peer-review
Mechanistic understanding of ethane dehydrogenation and aromatization over Zn/ZSM-5: Effects of Zn modification and CO2co-reactant
Fan, H., Nie, X., Wang, H., Janik, M. J., Song, C. & Guo, X., Dec 21 2020, In: Catalysis Science and Technology. 10, 24, p. 8359-8373 15 p.Research output: Contribution to journal › Article › peer-review
Impact of Alkali Metal Cations and Iron Impurities on the Evolution of Hydrogen on Cu Electrodes in Alkaline Electrolytes
Li, X., Gunathunge, C. M., Agrawal, N., Montalvo-Castro, H., Jin, J., Janik, M. J. & Waegele, M. M., Jan 6 2020, In: Journal of the Electrochemical Society. 167, 10, 106505.Research output: Contribution to journal › Article › peer-review
Bimetallic ions regulate pore size and chemistry of zeolites for selective adsorption of ethylene from ethane
Liu, Y., Wu, Y., Liang, W., Peng, J., Li, Z., Wang, H., Janik, M. J. & Xiao, J., Jul 20 2020, In: Chemical Engineering Science. 220, 115636.Research output: Contribution to journal › Article › peer-review
Electro-oxidation of furfural on gold is limited by furoate self-assembly
Román, A. M., Agrawal, N., Hasse, J. C., Janik, M. J., Medlin, J. W. & Holewinski, A., Nov 2020, In: Journal of Catalysis. 391, p. 327-335 9 p.Research output: Contribution to journal › Article › peer-review