SELECTED PUBLICATIONS

  1. A. Nautiyal, S. Srinivas, B. Nguyen, B. Burton, A. Ali, K. E. Lawson, X. Huang, Z. Wang, X. Zhang, A. J. Adamczyk, P. Dong, “Flexible skin patch for sensing opioid concentration in bodily fluids”, Analytical Chemistry, 2022. (Submitted)

  2. S. Sarwar, A. Ali, Y. Wang, R. Ahasan, R. Wang, A. J. Adamczyk, X. Zhang, "Enhancement of hydrogen evolution reaction activity using metal–rich molybdenum sulfotelluride with graphene support: A combined experimental and computational study", Nano Energy, 2021. DOI: 10.1016/j.nanoen.2021.106599

  3. A. Bansode, M. Barde, O. Asafu-Adjaye, V. Patil, J. Hinkle, B. K. Via, S. Adhikari, A. J. Adamczyk, R. Farag, T. Elder, N. Labbé, M. L. Auad, "Synthesis of Biobased Novolac Phenol–Formaldehyde Wood Adhesives from Biorefinery-Derived Lignocellulosic Biomass", ACS Sustainable Chem. Eng., 2021. DOI: 10.1021/acssuschemeng.1c01916

  4. S. Wu, B. J. Tatarchuk, A. J. Adamczyk, "Ethylene oxidation on unpromoted silver catalysts: Reaction pathway and selectivity analysis using DFT calculations", Surface Science2021. DOI: 10.1016/j.susc.2021.121834

  5. T. Azad, H. F. Torres, M. L. Auad, T. Elder, A. J. Adamczyk, "Isolating key reaction energetics and thermodynamic properties during hardwood model lignin pyrolysis", Phys. Chem. Chem. Phys.2021. DOI: 10.1039/D1CP02917G

  6. S. Sarwar, A. Ali, Z. Liu, J. Li, S. Uprety, H. Lee, R. Wang, M. Park, M. J. Bozack, A. J. Adamczyk, X. Zhang, “Towards Thermoneutral Hydrogen Evolution Reaction Using Noble Metal Free Dichalcogenide/Graphene Nanocomposites”, Journal of Colloids and Interfacial Science, 2020. DOI: 10.1016/j.jcis.2020.07.122

  7. Y. Choi, T. J. Preston, A. J. Adamczyk, “Data-driven investigation of monosilane and ammonia co-pyrolysis to silicon-nitride-based ceramic nanomaterials”, ChemPhysChem, 2020. DOI: 10.1002/cphc.202000561

  8. T. Azad, J. D. Schuler, M. Auad, T. Elder, A. J. Adamczyk, “Model lignin oligomer pyrolysis: Coupled conformational and thermodynamic analysis of β-O-4′ bond cleavage”, Energy & Fuels, 2020. DOI: 10.1021/acs.energyfuels.0c01573

  9. M.J. Minkler, J. Kim, K.E. Lawson, A. Ali, R. Zhao, A.J. Adamczyk, B.S. Beckingham, “Solution processible statistical poly(3-methoxythiophene)-co-poly(3-hexylthiophene) copolymer”, Materials Letters2019, 256, 126563. DOI: 10.1016/j.matlet.2019.126563

  10. G. Lozano-Blanco, B.J. Tatarchuk, A.J. Adamczyk, “Building a Microkinetic Model from First Principles for Higher Amine Synthesis on Pd Catalyst”, Ind. Eng. Chem. Res.2019, 58, 19022-19032. DOI: 10.1021/acs.iecr.9b03577 (INVITED)

  11. G. Lozano-Blanco, A.J. Adamczyk, “Cobalt-catalyzed nitrile hydrogenation: Insights into the reaction mechanism and product selectivity from DFT analysis”, Surface Science, 2019, 688, 31-44. DOI: 10.1016/j.susc.2019.06.003

  12. A. J. Adamczyk, “First-principles analysis of acetonitrile reaction pathways to primary, secondary, and tertiary amines on Pd(111)”, Surface Science, 2019, 682, 84-98. DOI: 10.1016/j.susc.2018.09.006

  13. Y. Choi, A. J. Adamczyk, “Tuning Hydrogenated Silicon, Germanium, and SiGe Nanocluster Properties Using Theoretical Calculations and a Machine Learning Approach”, The Journal of Physical Chemistry A , 2018, 122, 9851-9868. DOI: 10.1021/acs.jpca.8b09797

  14. A. J. Adamczyk, A.C. Cooper, M.-S. Kim, S.V. Ivanov, “Leveraging Atomistic Modeling during Precursor Design for Cobalt Film Deposition”, Computer Aided Chemical Engineering, 2018, 157-162. DOI: 10.1016/B978-0-444-64241-7.50021-5

  15. J. Al-Rashid , A. J. Adamczyk, T. Panitzsch , G. Lal, A. Arnold, J. Su, “Aldehyde Emissions from Flexible Molded Foam”, American Chemistry Council Center for the Polyurethanes Industry (CPI) Tech. Conf. Proc., 2015, 1-18. DOI: 10.1016/ACCCPI2015

  16. ​T. Eom, T. Gwon, S. Yoo, B. J. Choi, M.-S. Kim, S. Ivanov, A. J. Adamczyk, I. Buchanan, M. Xiao, C. S. Hwang, “Chemical Interaction and Ligand Exchange between [(CH3)3Si]3Sb Precursor and Atomic Layer Deposited Sb2Te3 Films”, J. Mater. Chem. C, 2015, 3, 1365-1370. DOI: 10.1039/C4TC02688H

  17. A. J. Adamczyk, J. Cao, S. C. L. Kamerlin, A. Warshel, “Catalysis by Dihydrofolate Reductase and Other Enzymes arises from Electrostatic Preorganization, not Conformational Motions”, Proc. Natl. Acad. Sci. U. S. A., 2011, 108 (34), 14115-14120. DOI: 10.1073/pnas.1111252108

  18. A. J. Adamczyk, L. J. Broadbelt, “Thermochemical Property Estimation for Multifunctional Polycyclic Silicon Hydrides”, J. Phys. Chem. A, 2011, 115 (32), 8969–8982. DOI: 10.1039/C4TC02688H

  19. A. J. Adamczyk, A. Warshel, “Converting Structural Information into an Allosteric‑Energy‑Based Picture for EF-Tu Activation by the Ribosome”, Proc. Natl. Acad. Sci. U. S. A., 2011, 108 (24), 9827-9832. DOI: 10.1039/C4TC02688H

  20. A. J. Adamczyk, L. J. Broadbelt, “The Role of Multifunctional Kinetics during Early-Stage Silicon Hydride Pyrolysis: Reactivity of Si2H2 Isomers with SiH4 and Si2H6”, J. Phys. Chem. A, 2011, 115 (11), 2409-2422. DOI: 10.1039/C4TC02688H

  21. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Hydrogenated Amorphous Silicon Nanostructures: Novel Structure-Reactivity Relationships for Cyclization and Ring Opening in the Gas Phase”, Theor. Chem. Acc., 2011, 128 (1), 91-113. DOI: 10.1039/C4TC02688H

  22. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Kinetic Correlations for H2 Addition and Elimination Reaction Mechanisms during Silicon Hydride Pyrolysis”, Phys. Chem. Chem. Phys., 2010, 12 (39), 12676-96. DOI: 10.1039/C4TC02688H

  23. B. Hidding, M. Fikri, M. Bozkurt, C. Schulz, T. Soltner, A. Kornath, M. Pfitzner, M. Lang, A. J. Adamczyk, L. Broadbelt, H. Ellerbrock, D. Simone, C. Bruno, “Spiking of Hydrocarbon Fuels with Silanes-based Combustion Enhancers”, The ISTS Special Issue of Transactions of JSASS Aerospace Technology Japan, 2010, 8, 39-45. DOI: 10.1039/C4TC02688H

  24. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Kinetics of Substituted Silylene Addition and Elimination in Silicon Nanocluster Growth Captured by Group Additivity”, ChemPhysChem, 2010, 11 (9), 1978–94. DOI: 10.1039/C4TC02688H

  25. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Exploring 1,2-Hydrogen Shift in Silicon Nanoparticles: Reaction Kinetics from Quantum Chemical Calculations and Derivation of Transition State Group Additivity (TSGA) Database”, J. Phys. Chem. A, 2009, 113 (41), 10933-46. DOI: 10.1039/C4TC02688H