Publications

  1. Tran, N., Mironenko, A. V.#, Probing the Redox Mechanism of Methanol Carbonylation to Acetic Acid on the Dispersed ReOx/SiO2 catalyst with First-Principles Calculations. Under review https://doi.org/10.26434/chemrxiv-2024-j50np-v2
  2. Gautam, A. K., Yu, S., Yang, H., Mironenko, A. V.#, Phase-dependent Promoting Effect of Surface Oxygen on Molybdenum Carbide Catalysts during Formic Acid Electrooxidation. Under review https://doi.org/10.26434/chemrxiv-2024-xwh17
  3. Leung, A. ‘Lanie’, Mironenko, A. V.# (2024). Analytical Correlation in the H2 Molecule from the Independent Atom Ansatz. Under review https://doi.org/10.48550/arXiv.2405.15809
  4. Mironenko, A. V.#, Self-Consistent Equations for Nonempirical Tight Binding Theory, Under review https://arxiv.org/abs/2204.04554v3
  5. Teng, D., Mironenko, A. V. & Voth, G.# (2024) QM/CG-MM: Systematic Embedding of Quantum Mechanical Systems in a Coarse-grained Environment with Accurate Electrostatics. The Journal of Physical Chemistry A, 128, 29, 6061–6071 https:///doi.org/10.1021/acs.jpca.4c02906
  6. Kim, N., Jeyaraj, V. S., Elbert, J., Seo, S. J., Mironenko, A. V., & Su, X.# (2024) Redox-Responsive Halogen Bonding as a Highly Selective Interaction for Electrochemical Separations. JACS Au, 4, 7, 2523–2538 https://doi.org/10.1021/jacsau.4c00265
  7. Yu, S., Gautam, A. K., Gao, D., Kuhn, A., He, H., Mironenko, A. V.#, & Yang, H.# (2024). Implication of Surface Oxidation of Nanoscale Molybdenum Carbide on Electrocatalytic Activity. Journal of Materials Chemistry A., 12, 15163-15176 https://doi.org/10.1039/D4TA01746C
  8. Woo, H. K., Gautam, A. K., Barroso-Martínez, J. S., Baddorf, A. P., Zhou, K., Choi, Y. Y., He, J., Mironenko, A. V., Rodríguez-López, J. and Cai, L.# (2023). Defect Engineering of WO3 by Rapid Flame Reduction for Efficient Photoelectrochemical Conversion of Methane into Liquid Oxygenates. Nano letters, 23(24), 11493-11500. https://doi.org/10.1021/acs.nanolett.3c03131
  9. Mironenko, A. V.# (2023). Analytical and Parameter-Free Hückel Theory Made Possible for Symmetric Hx Clusters. The Journal of Physical Chemistry A, 127(37), 7836-7843. https://doi.org/10.1021/acs.jpca.3c03646
  10. Potts, D. S., Jeyaraj, V. S., Kwon, O., Ghosh, R., Mironenko, A. V.#, & Flaherty, D. W.# (2022). Effect of Interactions between Alkyl Chains and Solvent Structures on Lewis Acid Catalyzed Epoxidations. ACS Catalysis, 12(21), 13372-13393. https://doi.org/10.1021/acscatal.2c03493
  11. Cotty, S., Jeon, J., Elbert, J., Jeyaraj, V. S., Mironenko, A. V., & Su, X.# (2022). Electrochemical recycling of homogeneous catalysts. Science Advances, 8(42), eade3094. https://doi.org/10.1126/sciadv.ade3094

Before University of Illinois

  1. Yue, Z., Bernardi, A., Li, C., Mironenko, A. V., & Swanson, J. M.# (2021). Toward a multipathway perspective: pH-dependent kinetic selection of competing pathways and the role of the internal glutamate in Cl–/H+ antiporters. The Journal of Physical Chemistry B, 125(29), 7975-7984. https://doi.org/10.1021/acs.jpcb.1c03304
  2. Mironenko, A. V., & Voth, G. A.# (2020). Density functional theory-based quantum mechanics/coarse-grained molecular mechanics: Theory and implementation. Journal of Chemical Theory and Computation, 16(10), 6329-6342. https://doi.org/10.1021/acs.jctc.0c00751
  3. Fu, J., Lym, J., Zheng, W., Alexopoulos, K., Mironenko, A. V., Li, N., Boscoboinik, J.A., Su, D., Weber, R.T. & Vlachos, D.G. & Vlachos, D. G.# (2020). C–O bond activation using ultralow loading of noble metal catalysts on moderately reducible oxides. Nature Catalysis, 3(5), 446-453. https://doi.org/10.1038/s41929-020-0445-x
  4. Goulas, K. A.*, Mironenko, A. V.*, Jenness, G. R., Mazal, T., & Vlachos, D. G.# (2019). Fundamentals of C–O bond activation on metal oxide catalysts. Nature Catalysis, 2(3), 269-276. https://doi.org/10.1038/s41929-019-0234-6
  5. Wang, C., Mironenko, A. V., Raizada, A., Chen, T., Mao, X., Padmanabhan, A., Vlachos, D. G., Gorte, R. J. & Vohs, J. M.# (2018). Mechanistic study of the direct hydrodeoxygenation of m-Cresol over WOx-decorated Pt/C catalysts. ACS Catalysis, 8(9), 7749-7759. https://doi.org/10.1021/acscatal.8b01746
  6. Feng, J., Lansford, J., Mironenko, A., Pourkargar, D. B., Vlachos, D. G.#, & Katsoulakis, M. A.# (2018). Non-parametric correlative uncertainty quantification and sensitivity analysis: Application to a Langmuir bimolecular adsorption model. AIP Advances, 8(3). https://doi.org/10.1063/1.5021351
  7. Lansford, J. L., Mironenko, A. V., & Vlachos, D. G.# (2017). Scaling relationships and theory for vibrational frequencies of adsorbates on transition metal surfaces. Nature communications, 8(1), 1842. https://doi.org/10.1038/s41467-017-01983-6
  8. Gilkey, M. J., Mironenko, A. V., Vlachos, D. G.#, & Xu, B.# (2017). Adipic acid production via metal-free selective hydrogenolysis of biomass-derived tetrahydrofuran-2, 5-dicarboxylic acid. ACS Catalysis, 7(10), 6619-6634. https://doi.org/10.1021/acscatal.7b01753
  9. Gilkey, M. J., Mironenko, A. V., Yang, L., Vlachos, D. G.#, & Xu, B.# (2016). Insights into the ring‐opening of biomass‐derived furanics over carbon‐supported ruthenium. ChemSusChem, 9(21), 3113-3121.https://doi.org/10.1002/cssc.201600681
  10. Mironenko, A. V., & Vlachos, D. G.# (2016). Conjugation-driven “reverse Mars–van Krevelen”-type radical mechanism for low-temperature C–O bond activation. Journal of the American Chemical Society, 138(26), 8104-8113. https://doi.org/10.1021/jacs.6b02871
  11. Luo, J.*, Yun, H.*, Mironenko, A. V.*, Goulas, K., Lee, J. D., Monai, M., Wang, C., Vorotnikov, V., Murray, C. B., Vlachos, D. G. & Gorte, R. J.# (2016). Mechanisms for high selectivity in the hydrodeoxygenation of 5-hydroxymethylfurfural over PtCo nanocrystals. ACS Catalysis, 6(7), 4095-4104. https://doi.org/10.1021/acscatal.6b00750
  12. Gilkey, M. J., Panagiotopoulou, P., Mironenko, A. V., Jenness, G. R., Vlachos, D. G.#, & Xu, B.# (2015). Mechanistic insights into metal Lewis acid-mediated catalytic transfer hydrogenation of furfural to 2-methylfuran. Acs Catalysis, 5(7), 3988-3994. https://doi.org/10.1021/acscatal.5b00586
  13. Mironenko, A. V., Gilkey, M. J., Panagiotopoulou, P., Facas, G., Vlachos, D. G.#, & Xu, B.# (2015). Ring activation of furanic compounds on ruthenium-based catalysts. The Journal of Physical Chemistry C, 119(11), 6075-6085. https://doi.org/10.1021/jp512649b

*Co-first authors. #Corresponding authors