Publications

  1. Melissa A. Smith, U. L. D. Inush Kalana, George E. Sterbinsky, Tianpin Wu, Matthew K. Kiesewetter, and Dugan Hayes. "Determining sulfur speciation in oxidatively crosslinked degradable polymers using sulfur K-edge X-ray absorption spectroscopy." Journal of Polymer Science (2024). DOI: 10.1002/pol.20240367.
    Sulfur K-edge X-ray absorption spectra of crosslinked polymers
  2. Leah Rynearson, Cali Antolini, Chamithri Jayawardana, Munaiah Yeddala, Dugan Hayes, and Brett Lucht. "Speciation of Transition Metal Dissolution in Electrolyte from Common Cathode Materials." Angewandte Chemie International Edition , 63 (5) , e202317109 (2023). DOI: 10.1002/anie.202317109.
    Transition metal ions dissolving from a cathode surface
  3. Cali Antolini, Danielle J. Jacoby, Sophia M. Tiano, Christopher J. Otolski, Gilles Doumy, Anne Marie March, Donald A. Walko, Joseph E. Goodwill, and Dugan Hayes. "Ten-Fold Solvent Kinetic Isotope Effect for the Nonradiative Relaxation of the Aqueous Ferrate(VI) Ion." Journal of Physical Chemistry A , 127 (49) , 10425-10434 (2023). DOI: 10.1021/acs.jpca.3c06042.
    Retardation of nonradiative relaxation kinetics of ferrate(VI) with increasing D2O/H2O ratio
  4. José A. Jiménez, Dugan Hayes, Cali Antolini, and Benjamin J. Reinhart. "XANES analysis of phosphate glasses melted with Tb4O7 and SnO: evaluating the impact of valence states on structural, thermal, and luminescent properties." Physical Chemistry Chemical Physics , 25 , 32688-32698 (2023). DOI: 10.1039/D3CP04784A.
    Sn K-edge XANES spectra of SnTb glasses
  5. Xiaolin Liu, Dugan Hayes, Lin X. Chen, and Xiaosong Li. "Bridge-Mediated Metal-to-Metal Electron and Hole Transfer in a Supermolecular Dinuclear Complex: A Computational Study Using Quantum Electron–Nuclear Dynamics." Journal of Physical Chemistry A , 127 (8) , 1831-1838 (2023). DOI: 10.1021/acs.jpca.2c07870.
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  6. Cali Antolini, Charles D. Spellman Jr., Christopher J. Otolski, Gilles Doumy, Anne Marie March, Donald A. Walko, Cunming Liu, Xiaoyi Zhang, Benjamin T. Young, Joseph E. Goodwill, and Dugan Hayes. "Photochemical and Photophysical Dynamics of the Aqueous Ferrate(VI) Ion." Journal of the American Chemical Society , 144 (49) , 22514-22527 (2022). DOI: 10.1021/jacs.2c08048.
    Steady-state and transient iron K-edge spectra of aqueous potassium ferrate(VI).
  7. Lasanthi Sumathirathne, Carson L. Hasselbrink, Dugan Hayes, and William B. Euler. "Catalytic Thermal Decomposition of NO2 by Iron(III) Nitrate Nonahydrate-Doped Poly(Vinylidene Difluoride)." ACS Omega , 7 (48) , 43839-43846 (2022). DOI: 10.1021/acsomega.2c04970.
    Temporal evolution of the Mössbauer spectra of Fe3+/PVDF samples at 250 °C and 300 °C.
  8. José A. Jiménez, Dugan Hayes, and Carson Hasselbrink. "UV to NIR Down-Shifting in Yb3+-Doped Phosphate Glass via Divalent Tin Centers." Journal of Physical Chemistry C , 126 (43) , 18421-18428 (2022). DOI: 10.1021/acs.jpcc.2c04429.
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  9. Gethmini K. Jayasekara, Cali Antolini, Melissa A. Smith, Danielle J. Jacoby, Jacqueline Escolastico, Nathan Girard, Benjamin T. Young, and Dugan Hayes. "Mechanisms of the Cu(I)-Catalyzed Intermolecular Photocycloaddition Reaction Revealed by Optical and X-ray Transient Absorption Spectroscopies." Journal of the American Chemical Society , 143 (46) , 19356-19364 (2021). DOI: 10.1021/jacs.1c07282.
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  10. Nancy Li, Ryan G. Hadt, Dugan Hayes, Lin X. Chen, and Daniel G. Nocera. "Detection of high-valent iron species in alloyed oxidic cobaltates for catalysing the oxygen evolution reaction." Nature Communications , 12 , 4218 (2021). DOI: 10.1038/s41467-021-24453-6.
    Zero-field 57Fe Mössbauer spectra for CoFeOx films with the composition 40% Fe:60% Co. Raw data, fit for Fe3+ species, Fe4+ species, and overall fit.
  11. Melissa A. Smith, Min Chen, Zhenghong Dai, Cali Antolini, Gethmini K. Jayasekara, Srinivas K. Yadavalli, Benjamin J. Reinhart, Nitin P. Padture, and Dugan Hayes. "Real-time investigation of Sn(II) oxidation in Pb-free halide perovskites by X-ray absorption and Mössbauer spectroscopy." ACS Applied Energy Materials , 4 (5) , 4327-4332 (2021). DOI: 10.1021/acsaem.1c01143.
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  12. Megan L. Shelby, Andrew Wildman, Dugan Hayes, Michael W. Mara, Patrick J. Lestrange, Marco Cammarata, Lodovico Balducci, Maxim Artamonov, Henrik T. Lemke, Diling Zhu, Tamar Seideman, Brian M. Hoffman, Xiaosong Li, and Lin X. Chen. "Interplays of electron and nuclear motions along CO dissociation trajectory in myoglobin revealed by ultrafast X-rays and quantum dynamics calculations." Proceedings of the National Academy of Sciences of the United States of America , 118 (14) , e2018966118 (2021). DOI: 10.1073/pnas.2018966118.
    (A) Global fits to a three-step sequential model for both polarizations at (4) 7,123 eV. (B) Components of the fits from each species for the perpendicular (solid) and parallel (dashed) polarizations. (C) Proposed mechanism of heme relaxation following photodissociation of CO. The 80-fs component is attributable to CO loss, intersystem crossing, a small displacement of Fe out of heme plane, and elongation of Fe–NHis bond. The 890-fs component is due to the expansion of Fe–Np bonds, heme doming, and further Fe out-of-plane plane displacement.
  13. Sylvia J. Lou, Stephen Loser, Kyle A. Luck, Nanjia Zhou, Matthew J. Leonardi, Amod Timalsina, Eric F. Manley, Dugan Hayes, Joseph Strzalka, Mark C. Hersam, Robert P. H. Chang, Tobin J. Marks, and Lin X. Chen. "Charge generation mechanism tuned via film morphology in small molecule bulk-heterojunction photovoltaic materials." Journal of Materials Chemistry C , 8 , 15234-15252 (2020). DOI: 10.1039/D0TC03393F.
    Energetics of three types of excitons in different environments and their possible pathways. The energetic manifolds represent the inhomogeneity of local structures.
  14. Nancy Li, Thomas P. Keane, Samuel S. Veroneau, Ryan G. Hadt, Dugan Hayes, Lin X. Chen, and Daniel G. Nocera. "Template-stabilized oxidic nickel oxygen evolution catalysts." Proceedings of the National Academy of Sciences of the United States of America , 117 (28) , 16187-16192 (2020). DOI: 10.1073/pnas.2001529117.
    SEM mapping of Pb M edge (yellow contrast) on NiFePbOx film surface after performing OER at 1 mA cm–2 in 0.1 M KPi + 1 M KNO3 pH 2.5 buffer for 0, 1, 3, 7, and 19 h. Chronopotentiometry curve is illustrated in blue. Intensities of the Pb M-edge signal are normalized within each image.
  15. Jiyun Hong, Matthew S. Kelley, Megan L. Shelby, Dugan Hayes, Ryan G. Hadt, Dolev Rimmerman, Xiaoyi Zhang, and Lin X. Chen. "The nature of the long‐lived excited state in a Ni(II) phthalocyanine complex investigated by X‐ray transient absorption spectroscopy." ChemSusChem , 11 , 2421-2428 (2018). DOI: 10.1002/cssc.201800777.
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  16. Dugan Hayes*, Lars Kohler*, Lin X. Chen, and Karen L. Mulfort. "Ligand Mediation of Vectorial Charge Transfer in Cu(I)diimine Chromophore–Acceptor Dyads." Journal of Physical Chemistry Letters , 9 (8) , 2070-2076 (2018). *Contributed equally. DOI: 10.1021/acs.jpclett.8b00468.
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  17. Dugan Hayes, Lars Kohler, Ryan G. Hadt, Xiaoyi Zhang, Cunming Liu, Karen L. Mulfort, and Lin X. Chen. "Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy." Chemical Science , 9 , 860-875 (2017). DOI: 10.1039/c7sc04055e.
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  18. Lars Kohler, Ryan G. Hadt, Dugan Hayes, Lin X. Chen, and Karen L. Mulfort. "Synthesis, structure, and excited state kinetics of heteroleptic Cu(I) complexes with a new sterically demanding phenanthroline ligand." Dalton Transactions , 46 , 13088-13100 (2017). DOI: 10.1039/c7dt02476b.
    Synthesis of CuHETPHEN complexes. The top synthesis route follows the typical HETPHEN approach developed by Schmittel and co-workers using the [Cu(CH3CN)4](PF6) reagent. The bottom synthesis route follows the approach developed by Gandhi et al. via oxidation of Cu(0) in non-coordinating solvents.

Publications Before URI

  1. Matthew S. Kirschner, Daniel C. Hannah, Benjamin T. Diroll, Xiaoyi Zhang, Michael J. Wagner, Dugan Hayes, Angela Y. Chang, Clare E. Rowland, Clotilde M. Lethiec, George C. Schatz, Lin X. Chen, and Richard D. Schaller. "Transient Melting and Recrystallization of Semiconductor Nanocrystals Under Multiple Electron–Hole Pair Excitation." Nano Letters , 17 (9) , 5314-5320 (2017). DOI: 10.1021/acs.nanolett.7b01705.
  2. Matthew S. Kelley, Megan L. Shelby, Michael W. Mara, Kristoffer Haldrup, Dugan Hayes, Ryan G. Hadt, Xiaoyi Zhang, Andrew B. Stickrath, Romain Ruppert, Jean-Pierre Sauvage, Diling Zhu, Henrik T. Lemke, Matthieu Chollet, George C. Schatz, and Lin X. Chen. "Ultrafast dynamics of two copper bis-phenanthroline complexes measured by x-ray transient absorption spectroscopy." Journal of Physics B: Atomic, Molecular and Optical Physics , 50 , 154006 (2017). DOI: 10.1088/1361-6455/aa7b97.
  3. Casey N. Brodsky*, Ryan G. Hadt*, Dugan Hayes, Benjamin J. Reinhart, Nancy Li, Lin X. Chen, and Daniel G. Nocera. "In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts." Proceedings of the National Academy of Sciences of the United States of America , 114 (15) , 3855-3860 (2017). *Contributed equally. DOI: 10.1073/pnas.1701816114.
  4. Lili Wang, Nicholas E. Williams, Edward W. Malachosky, John P. Otto, Dugan Hayes, Ryan E. Wood, Philippe Guyot-Sionnest, and Gregory S. Engel. "Scalable Ligand-Mediated Transport Synthesis of Organic–Inorganic Hybrid Perovskite Nanocrystals with Resolved Electronic Structure and Ultrafast Dynamics." ACS Nano , 11 (3) , 2689-2696 (2017). DOI: 10.1021/acsnano.6b07574.
  5. Nancy Li, D. Kwabena Bediako, Ryan G. Hadt, Dugan Hayes, Thomas J. Kempa, Felix von Cube, David C. Bell, Lin X. Chen, and Daniel G. Nocera. "Influence of iron doping on tetravalent nickel content in catalytic oxygen evolving films." Proceedings of the National Academy of Sciences of the United States of America , 114 (7) , 1486-1491 (2017). DOI: 10.1073/pnas.1620787114.
  6. Dugan Hayes, Ryan G. Hadt, Jonathan D. Emery, Amy A. Cordones, Alex B. F. Martinson, Megan L. Shelby, Kelly A. Fransted, Peter D. Dahlberg, Jiyun Hong, Xiaoyi Zhang, Qingyu Kong, Robert W. Schoenlein, and Lin X. Chen. "Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance." Energy & Environmental Science , 9 , 3754-3769 (2016). DOI: 10.1039/c6ee02266a.
  7. Ryan G. Hadt, Dugan Hayes, Casey N. Brodsky, Andrew M. Ullman, Diego M. Casa, Mary H. Upton, Daniel G. Nocera, and Lin X. Chen. "X-Ray spectroscopic characterization of Co(IV) and metal-metal Interactions in Co4O4: electronic structure contributions to the formation of high-valent states relevant to the oxygen evolution reaction." Journal of the American Chemical Society , 108 (34) , 11017-11030 (2016). DOI: 10.1021/jacs.6b04663.
  8. Lars Kohler, Dugan Hayes, Jiyun Hong, Tyler J. Carter, Megan L. Shelby, Kelly A. Fransted, Lin X. Chen, and Karen L. Mulfort. "Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores." Dalton Transactions , 45 , 9871-9883 (2016). DOI: 10.1039/c6dt00324a.
  9. Zhijin Lin, Megan L. Shelby, Dugan Hayes, Kelly A. Fransted, Lin X. Chen, and Matthew J. Allen. "Water-exchange rates of lanthanide ions in an ionic liquid." Dalton Transactions , 43 , 16156-16159 (2014). DOI: 10.1039/c4dt02492c.
  10. Dugan Hayes, Graham B. Griffin, and Gregory S. Engel. "Engineering coherence among excited states in synthetic heterodimer systems." Science , 340 (6139) , 1431-1434 (2013). DOI: 10.1126/science.1233828.
  11. Kelly A. Fransted, Justin R. Caram, Dugan Hayes, and Gregory S. Engel. "Two-dimensional electronic spectroscopy of bacteriochlorophyll a in solution: Elucidating the coherence dynamics of the Fenna-Matthews-Olson complex using its chromophore as a control." Journal of Chemical Physics , 137 (12) , 125101 (2012). DOI: 10.1063/1.4752107.
  12. Dugan Hayes and Gregory S. Engel. "Peak shape analysis of diagonal and off-diagonal features in the two-dimensional electronic spectra of the Fenna-Matthews-Olson complex." Philosophical Transactions of the Royal Society A , 370 (1972) , 3692-3708 (2012). DOI: 10.1098/rsta.2011.0201.
  13. Andrew F. Fidler, Justin R. Caram, Dugan Hayes, and Gregory S. Engel. "Toward a coherent picture of excitonic coherence in the Fenna‐Matthews‐Olson complex." Journal of Physics B: Atomic, Molecular and Optical Physics , 45 , 154013 (2012). DOI: 10.1088/0953-4075/45/15/154013.
  14. Dugan Hayes, Jianzhong Wen, Gitt Panitchayangkoon, Robert E. Blankenship, and Gregory S. Engel. "Robustness of electronic coherence in the Fenna-Matthews-Olson complex to vibronic and structural modifications." Faraday Discussions , 150 , 459-469 (2011). DOI: 10.1039/c0fd00030b.
  15. Dugan Hayes and Gregory S. Engel. "Extracting the excitonic Hamiltonian of the Fenna-Matthews-Olson complex using three-dimensional third-order electronic spectroscopy." Biophysical Journal , 100 (8) , 2043-2052 (2011). DOI: 10.1016/j.bpj.2010.12.3747.
  16. Gitt Panitchayangkoon, Dugan Hayes, Kelly A. Fransted, Justin R. Caram, Elad Harel, Jianzhong Wen, Robert E. Blankenship, and Gregory S. Engel. "Long-lived quantum coherence in photosynthetic complexes at physiological temperature." Proceedings of the National Academy of Sciences of the United States of America , 107 (29) , 12766-12770 (2010). DOI: 10.1073/pnas.1005484107.
  17. Dugan Hayes, Gitt Panitchayangkoon, Kelly A. Fransted, Justin R. Caram, Jianzhong Wen, Karl F. Freed, and Gregory S. Engel. "Dynamics of electronic dephasing in the Fenna-Matthews-Olson complex." New Journal of Physics , 12 , 065042 (2010). DOI: 10.1088/1367-2630/12/6/065042.
  18. Xiao-an Zhang, Dugan Hayes, Sarah J. Smith, Simone Friedle, and Stephen J. Lippard. "New strategy for quantifying biological zinc by a modified Zinpyr fluorescence sensor." Journal of the American Chemical Society , 130 (47) , 15788-15789 (2008). DOI: 10.1021/ja807156b.