M. W. Mara, Unveiling ultrafast dynamics in bridged bimetallic complexes using optical and X-ray transient absorption spectroscopies. Chem. Sci., 2022, DOI: 10.1039/D1SC05034F. link


J. Niklas, U. Brahmachari, L. M. Utschig, O. G. Poluektov. D‐Band EPR and ENDOR Spectroscopy of 15N‐Labeled Photosystem I. Applied Magnetic Resonance, 2021. link

Z. Xie, X. Liu, A. J. S. Valentine, V. Lynch, D. M. Tiede, X. Li, K. L. Mulfort. Bimetallic Cu/Ru/Os complexes: Observation of conformational differences between the solution phase and solid state by atomic pair distribution function analysis. Angew. Chem. Int. Ed., 2021, DOI: 10.1002/anie.202111764. link

B. T. Phelan, M. W. Mara, L. X. Chen. Excited-state structural dynamics of nickel complexes probed by optical and X-ray transient absorption spectroscopies: insights and implications. Chem. Commun. 2021, 57, 11904-11921. link

M. C. Drummer, V. Singh, N. Gupta, J. L. Gesiorski, R. Weerasooriya, K. D. Glusac. Photophysics of Nanographenes: from Polycyclic Aromatic Hydrocarbons to Graphene Nanoribbons. Photosynth. Res. 2021. link

A. R. Bielinski, E. A. Sprague-Klein, B. T. Phelan, A. B. F. Martinson. Pyroelectric Heat Detection for Calibrated Measurement of Atomic Layer Deposition Reaction Heat. Chem. Mater. 2021, 33, 6176-6185. link

G. Kwon, S. H. Chang, J. E. Heo, K. J. Lee, J.-K. Kim, B.-G. Cho, T. Y. Koo, B. J. Kim, C. Kim, J. H. Lee, S.-M. Bak, K. A. Beyer, H. Zhong, R. J. Koch, S. Hwang, L. M. Utschig, X. Huang, G. Hu, G. W. Brudvig, D. M. Tiede, J. Kim. Experimental Verification of Ir 5d Orbital States and Atomic Structures in Highly Active Amorphous Iridium Oxide Catalysts. ACS Catal. 2021, 11, 10084–10094. link

E. Barry, R. Burns, W. Chen, G. X. De Hoe, J. M. M. De Oca, J. J. de Pablo, J. Dombrowski, J. W. Elam, A. M. Felts, G. Galli, J. Hack, Q. He, X. He, E. Hoenig, A. Iscen, B. Kash, H. Kung, N. Lewis, C. Liu, X. Ma, A. Mane, A. B. F. Martinson, K. L. Mulfort, J. Murphy, K. Molhave, P. Nealey, Y. Qiao, V. Rozyyev, G. C. Schatz, S. J. Sibener, D. Talapin, D. M. Tiede, M. V. Tirrell, A. Tokmakoff, G. Voth, Z. Wang, Z. Ye, M. Yesibolati, N. Zaluzec, S. B. Darling. Advanced Materials for Energy-Water Systems: The central role of water/solid interfaces in adsorption, reactivity, and transport. Chem. Rev., 2021, 121, 9450-9501. link

X. He, M. S. Eberhart, A. B. F. Martinson, D. M. Tiede, K. L. Mulfort. Molecularly Functionalized Electrodes for Efficient Electrochemical Water Remediation. ChemSusChem2021, 14, 3267 –3276. link

D. M. Kaphan, K. R. Brereton, R. C. Klet, R. J. Witzke, A. J. M. Miller, K. L. Mulfort, M. Delferro, D. M. Tiede. Photocatalytic transfer hydrogenation in water: insight into mechanism and catalyst speciation. Organometallics, 2021, 40, 1482-1491link

O. G. Poluektov, L. M. Utschig. Quantum Sensing of Electron Transfer Pathways in Natural Photosynthesis Using Time-Resolved High-Field Electron Paramagnetic Resonance/Electron–Nuclear Double Resonance Spectroscopy. J. Phys. Chem. B 2021, 125, 4025–4030. link

L. Kohler, A. M. Potocny, J. Niklas, M. Zeller, O. G. Poluektov, K. L. Mulfort. Replacing Pyridine with Pyrazine in Molecular Cobalt Catalysts: Effects on Electrochemical Properties and Aqueous H2 Generation. Catalysts, 202111, 75. link


V. Singh, M. R. Zoric, G. N. Hargenrader, A. J. S. Valentine, O. Zivojinovic, D. R. Milic, X. Li, K. D. Glusac. Exciton Coherence Length and Dynamics in Graphene Quantum Dot Assemblies. J. Phys. Chem. Lett. 2020, 11, 210-216. link

V. Singh, N. Gupta, G. N. Hargenrader, E. J. Askins, A. J. S. Valentine, G. Kumar, G; M. W. Mara, N. Agarwal, X. Li, L. X. Chen, A. A. Cordones, K. D. Glusac. Photophysics of Graphene Quantum Dot Assemblies with Axially Coordinated Cobaloxime Catalysts, J. Chem. Phys. 2020, 153, 124903. link

K.L. Mardis, J. Niklas, H. Omodayo, E. Odella, T.A. Moore, A.L. Moore, O.G. Poluektov. One Electron Multiple Proton Transfer in Model Organic Donor–Acceptor Systems: Implications for High-Frequency EPR. Applied Magnetic Resonance, 2020, 51, 977-991. link

G. Peng, J. Wu, M. Wang, J. Niklas, H. Zhou, C. Liu. Nitrogen-Defective Polymeric Carbon Nitride Nanolayer Enabled Efficient Electrocatalytic Nitrogen Reduction with High Faradaic Efficiency. Nano Letters 2020, 20, 2879-2885. link

R. Singamaneni, L.M. Martinez, J. Niklas, O.G. Poluektov, R. Yadav, M. Pizzochero, O.V. Yazyev, M.A. McGuire. Light induced electron spin resonance properties of van der Waals CrX3 (X = Cl, I) crystals. Applied Physics Letters, 2020, 117, 082406. link

H. Lohmann, K. Trerayapiwat, J. Niklas, O.G. Poluektov, T. Rajh, S. Sharifzadeh, X. Ma. sp3-Functionalization of Single-Walled Carbon Nanotubes Creates Localized Spins. ACS Nano, 2020, 14, 17675-17682. link

A.G. Nash, C.J. Breyer, B.D. Vincenzini, G.I. Elliott, J. Niklas, O.G. Poluektov, A.L. Rheingold, D.K. Smith, D.G. Musaev, D.B. Grotjahn. An Active-Site Sulfonate Group Creates a Fast Water Oxidation Electrocatalyst That Exhibits High Activity in Acid.  Angewandte Chemie – International Edition, 2020, 60, 1540-1545. link 

D. W. Burke, C.  Sun, I. Castano, N. C. Flanders, A. M. Evans, E. Vitaku, D. C. McLeod, R. H. Lambeth, L. X. Chen, N. C. Gianneschi, W. R. Dichtel, W. R. Acid Exfoliation of Imine-linked Covalent Organic Frameworks Enables Solution Processing into Crystalline Thin Films. Angew. Chem. Int’l. Ed. 2020, 19, 5165-5171. link

L. X. Chen. From photosynthesis to photocatalysis: Dual catalytic oxidation/reduction in one system. Proc. Nat’l Acad. Sci. USA, 2020, 117, 8672-8673. link

N. C. Flanders, M. S. Kirschner, P. Kim, T. J. Fauvell, A. M. Evans, W. Helweh, A. P. Spencer, R. D. Schaller, W. R. Dichtel, L. X. Chen. Large Exciton Diffusion Coefficients in Two Dimensional Covalent Organic Frameworks with Different Domain Sizes Revealed by Ultrafast Exciton Dynamics.  J. Am. Chem. Soc. 2020, 142, 14957–14965. link

X. He, R. Z. Waldman, D. J. Mandia, N. Jeon, N. J. Zaluzec, O. J. Borkiewicz, U. Ruett, S. B. Darling, A. B. F. Martinson, D. M. Tiede. Resolving the Atomic Structure of Sequential Infiltration Synthesis Derived Inorganic Clusters. ACS Nano2020, 14, 14846-14860. link 

D. R. Marzolf, A. M. McKenzie, M. C. O’Malley, N. S. Ponomarenko, C. M. Swaim, T. J. Brittain, N. L. Simmons, P. R. Pokkuluri, K. L. Mulfort, D. M. Tiede, O. Kokhan. Mimicking natural photosynthesis: Designing ultrafast photosensitized electron transfer into multiheme cytochrome protein nanowires. Nanomaterials, 2020, 10, 2143link

M. S. Eberhart, B. T. Phelan, J. Niklas, E. A. Sprague-Klein, D. M. Kaphan, D. J. Gosztola, L. X. Chen, D. M. Tiede, O. G. Poluektov, K. L. Mulfort. Surface immobilized copper(I)diimine photosensitizers as molecular probes for elucidating the effects of confinement at interfaces for solar energy conversion. Chem. Commun.2020, 56, 12130-12133. link

D. M. Tiede, G. Kwon, X. He, K. L. Mulfort, A. B. F. Martinson. Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering. Nanoscale202012, 13276-13296. link

J. Niklas, T. Zheng, A. Neshchadin, K.L. Mardis, L. Yu, O.G. Poluektov. Polaron and Exciton Delocalization in Oligomers of High‐Performance Polymer PTB7. J. Am. Chem. Soc., 2020, 142, 1359‐1366. link

N. S. Ponomarenko, O. Kokhan, P. R. Pokkuluri, K. L. Mulfort, D. M. Tiede. Examination of abiotic cofactor assembly in photosynthetic biomimetics: site-specific stereoselectivity in the conjugation of a ruthenium(II) tris(bipyridine) photosensitizer to a multi-heme protein. Photosynth. Res. 2020, 143, 99-113. link

U. Brahmachari, P. R. Pokkuluri, D. M. Tiede, J. Niklas, O. G. Poluektov, K. L. Mulfort,
L. M. Utschig. Interprotein electron transfer biohybrid system for photocatalytic H2
production. Photosynth. Res. 2020, 143, 183-192. link


D. Kaphan, M. Ferrandon, R. Langeslay, G. Celik, E. Wegener, C. Liu, J. Niklas, O. G. Poluektov, M. Delferro. Mechanistic Aspects of a Surface Organovanadium(III) Catalyst for Hydrocarbon Hydrogenation and Dehydrogenation. ACS Catalysis 2019, 9, 11055-11066. link

A. Lee, M. Voros, W. M. Dose, J. Niklas, O. G. Poluektov, R. D. Schaller, H. Iddir, V. Maroni, E. Lee, B. Ingram, L. A. Curtiss, C. Johnson. Photo-Accelerated Fast Charging of Lithium-Ion Batteries. Nature Comm. 2019, 10, 4946. link

J. Hong, T. J. Fauvell, W. Helweh, X. Zhang, L. X. Chen. Investigation of the photoinduced axial ligation process in the excited state of nickel(II) phthalocyanine. Photochem. Photobiol. A. 2019, 372, 270-278. link

S. E. Brown-Xu, M. Fumanal, C. Gourlaouen, L. Gimeno, A. Quatela, C. Thobie-Gautier, E. Blart, A. Planchat, F. Riobé, C. Monnereau, L. X. Chen, C. Daniel, Y. Pellegrin. Intriguing effects of halogen substitutions on the photophysical properties of 2,9-(bis)halo substituted phenanthroline-copper(I) complexes. Inorg. Chem. 2019, 58, 7730−7745. link

A. M. Evans, M. R. Ryder, N. C. Flanders, E. Vitaku, L. X. Chen, W. R. Dichtel. Buckling of Two-Dimensional Covalent Organic Frameworks under Thermal Stress.  Ind. Eng. Chem. Res. 2019, 58, 9883−9887. link

Q. Kong, D. Khakhulin, I. A. Shkrob, J. H. Lee, X. Zhang, J. Kim, K. H. Kim, J. Jo, J. Kim, J. Kang, P. Van-Thai, G. Jennings, C. Kurtz, R. Spence, L. X. Chen, M. Wulff, H. Ihee. Solvent-dependent complex reaction pathways of bromoform revealed by time-resolved X-ray solution scattering and X-ray transient absorption spectroscopy. Structural Dynamics, 2019, 6, 064902. link

R. L. Li,  N. C. Flanders, A. M. Evans, W. Ji, I. Castano, L. X. Chen, N. C. Gianneschi, W. R. Dichtel, Controlled growth of imine-linked two-dimensional covalent organic framework nanoparticles. Chemical Science 2019, 10, 3796-3801. link

O. G. Poluektov, J. Niklas, L. M. Utschig. Spin-Correlated Radical Pairs as Quantum Sensors of Bidirectional ET Mechanisms in Photosystem I. J. Phys. Chem. B, 2019, 123, 7536-7544. link

N. Singh, N.K. Botcha, T.M. Jones, M.Z. Ertem, J. Niklas, E.R. Farquhar, O.G. Poluektov, A. Mukherjee. Reactivity of bio-inspired Cu(II) (N2/Py2) complexes with peroxide at room temperature. J. Inorg. Biochem., 2019, 197, 110674. link

Z. Chen, H. Zhang, P. Guo, J. Zhang, G. Tira,  Y. Kim, Y. Wu, Y. Liu, J. Wen,  T. Rajh, J. Niklas, O. Poluektov, P. Laible, E. Rozhkova. Semi-Artificial Photosynthetic CO2 Reduction Through Purple Membrane Re-engineering with Semiconductor. J. Am. Chem. Soc., 2019, 141, 11811−11815. link

B. Dong, Z. Liu, M. Misra, J. Strzalka, J. Niklas, O. Poluektov, F. Escobedo, C. Ober, P. Nealey, S. Patel. Structure Control of a π-Conjugated Oligothiophene-Based Liquid Crystal for Enhanced Mixed Ion/Electron Transport Characteristics. ACS Nano, 2019, 13, 7665-7675. link

G. Hargenrader, R. Weerasooriya, S. Ilic, J. Niklas, O. G. Poluektov, K. D. Glusac. Photo-regeneration of Biomimetic NADH Analogs via Dye-Sensitized Approach. ACS Appl. Energy Mater., 2019, 2, 80−91. link

G. KwonY.-H. ChoK.-B. KimJ. D. EmeryI. S. KimX. ZhangA. B. F. Martinson, D. M. Tiede. Microfluidic electrochemical cell for in situ structural characterization of amorphous thin-film catalysts using high-energy X-ray scattering. J. Synchrotron Rad., 2019, 26, 1600-1611. link

L. Kohler, K. L. Mulfort. Photoinduced electron transfer kinetics of linked Ru-Co photocatalyst dyads. J. Photochem. Photobiol. A, 2019, 373, 59-65. link


B.J. Pella, J. Niklas, O.G. Poluektov, A. Mukherjee. Effects of Denticity and Ligand Rigidity on Reactivity of Copper Complexes with Cumyl Hydroperoxide. Inorg. Chim. Acta, 2018, 483, 71-78. link

A.D.K.I. Weeraratne, H. Baydoun, R. Shakaya, J. Niklas, L.X. Xie, G.Z. Mao, S.A. Stoian, O.G. Poluektov, C.N. Verani. Observation of current rectification by the new bimetallic iron(iii) hydrophobe [FeIII2(L-N4O6)] on Au|LB-molecule|Au devices. Dalton Trans., 2018, 47, 14352-14361. link

Y.Q. Zhao, H. Sohn, B. Hu, J. Niklas, O.G. Poluektov, J. Tian, M. Delferro, A.S. Hock. Zirconium Modification Promotes Catalytic Activity of a Single-Site Cobalt Heterogeneous Catalyst for Propane Dehydrogenation. ACS Omega2018, 3, 11117-11127. link

H. Baydoun, J. Burdick, B. Thapa, L. Wickramsinghe, D. Li, J. Niklas, O.G. Poluektov, H.B. Schlegel, C.N. Verani. Immobilization of an Amphiphilic Molecular Cobalt Catalyst on Carbon Black for Ligand-Assisted Water Oxidation. Inorg. Chem., 201857, 9748-9756. link

L. M. Utschig, S. R. Soltau, K. L. Mulfort, J. Niklas, O. G. Poluektov. Z-scheme solar water splitting via self-assembly of photosystem I-catalyst hybrids in thylakoid membranes. Chem. Sci.2018, 9, 8504-8512. link

J. Maser, B. Lai, V. De Andrede, S. R. Bare, M. Bertoni, T. Buonassisi, P. Evans, D. P. Fenning, S. Heald, C. Johnson, T. Lanzirotti, C. Murray, T. Rajh, V. Rose, R. Reininger, X. Shi, M. Stuckelberger, D. Tiede, S. Vogt, R. Winans. Design Concept for the In Situ Nanoprobe Beamline for the APS Upgrade. Microsc. Microanal., 201824, 194-195. link

G. Kwon, H. JangJ.-S. LeeA. ManeS. R. SoltauL. M. UtschigA. B. F. MartinsonD. M. TiedeH. KimJ. Kim. Resolution of Electronic and Structural Factors Underlying Oxygen-Evolving Performance in Amorphous Cobalt Oxide Catalysts. J. Am. Chem. Soc., 2018, 140, 10710-10720. link

J. Niklas, K. L. Mardis, O. G. Poluektov. Spin Signature of the C60 Fullerene Anion: A Combined X- and D-Band EPR and DFT Study. J. Phys. Chem. Lett., 20189, 3915-3921. link

D. Hayes, L. Kohler, L. X. Chen, K. L. Mulfort. Ligand Mediation of Vectorial Charge Transfer in Cu(I)diimine Chromophore—Acceptor Dyads. J. Phys. Chem. Lett., 20189, 2070-2076. link

L. Wang, N. P. Brawand, M. Voros, P. D. Dahlberg, J. P. Otto, N. E. Williams, D. M. Tiede, G. Galli, G. S. Engel. Excitations Partition into Two Distinct Populations in Bulk Perovskites. Advanced Optical Materials2018, 6, 1700975. link

N. Ponomarenko, J. Niklas, P. R. Pokkuluri, O. G. Poluektov, D. M. Tiede. EPR Characterization of the Triheme Cytochrome from Geobacter sulfurreducens. Biochemistry, 2018, 57, 1722-1732. link

D. Hayes, L. Kohler, R. G. Hadt, X. Zhang, C. Liu, K. L. Mulfort, L. X. Chen. Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy. Chem. Sci., 2018, 9, 860-875. link


T. J. Aldrich, M. J. Leonardi, A. S. Dudnik, N. D. Eastham, B. Harutyunyan, T. J. Fauvell, E. F. Manley, N. Zhou, M. R. Butler, T. Harschneck, M. A. Ratner, L. X. Chen, M. J. Bedzyk, R. P. H. Chang, F. S. Melkonyan, A. Facchetti, T. J. Marks. Enhanced Fill Factor through Chalcogen Side Chain Manipulation in Small-Molecule Photovoltaics. ACS Energy Letters 2017, 2, 2415-2421. link

N. D. Eastham, A. S. Dudnik, T. J. Aldrich, E. F. Manley, T. J. Fauvell, P. E. Hartnett, M. R. Wasielewski, L. X. Chen, F. S. Melkonyan, A. Facchetti, R. P. H. Chang, T. J. Marks. Small Molecule Acceptor and Polymer Donor Crystallinity and Aggregation Effects on Microstructure Templating: Understanding Photovoltaic Response in Fullerene-Free Solar Cells. Chem. Mater. 2017, 29, 4432-4444. link

N. D. Eastham, A. S. Dudnik, B. Harutyunyan, T. J. Aldrich, M. J. Leonardi, E. F. Manley, M. R. Butler, T. Harschneck, M. A. Ratner, L. X. Chen, M. J. Bedzyk, F. S. Melkonyan, A. Facchetti, R. P. H. Chang, T. J. Marks. Enhanced Light Absorption in Fluorinated Ternary Small-Molecule Photovoltaics. ACS Energy Letters 2017, 2, 1690-1697. link

B. J. Eckstein, F. S. Melkonyan, E. F. Manley, S. Fabiano, A. R. Moua, L. X. Chen, A. Facchetti, T. J. Marks. Naphthalene Bis(4,8-diamino-1,5-dicarboxyl)amide Building Block for Semiconducting Polymers. J. Am. Chem. Soc. 2017, 139, 14356-14359. link

B. J. Eckstein, F. S. Melkonyan, N. Zhou, E. F. Manley, J. Smith, A. Timalsina, R. P. H. Chang, L. X. Chen, A. Facchetti, T. J. Marks. Buta-1,3-diyne-Based pi-Conjugated Polymers for Organic Transistors and Solar Cells. Macromolecules 2017, 50, 1430-1441. link

K. J. Fallon, A. Santala, N. Wijeyasinghe, E. F. Manley, N. Goodeal, A. Leventis, D. M. E. Freeman, M. Al-Hashimi, L. X. Chen, T. J. Marks, T. D. Anthopoulos, H. Bronstein. Effect of Alkyl Chain Branching Point on 3D Crystallinity in High N-Type Mobility Indolonaphthyridine Polymers. Advanced Functional Materials 2017, 27, 1704069. link

M. S. Kelley, M. L. Shelby, M. W. Mara, K. Haldrup, D. Hayes, R. G. Hadt, X. Zhang, A. B. Stickrath, R. Ruppert, J.-P. Sauvage, D. Zhu, H. T. Lemke, M. Chollet, G. C. Schatz, L. X. Chen. Ultrafast dynamics of two copper bisphenanthroline complexes measured by x-ray transient absorption spectroscopy. Journal of Physics B-Atomic Molecular and Optical Physics 2017, 50, 154006. link

M. S. Kirschner, D. C. Hannah, B. T. Diroll, X. Zhang, M. J. Wagner, D. Hayes, A. Y. Chang, C. E. Rowland, C. M. Lethiec, G. C. Schatz, L. X. Chen, R. D. Schaller. Transient Melting and Recrystallization of Semiconductor Nanocrystals Under Multiple Electron-Hole Pair Excitation. Nano Letters 2017, 17, 5314-5320. link

D. B. Lingerfelt, P. J. Lestrange, J. J. Radler, S. E. Brown-Xu, P. Kim, F. N. Castellano, L. X. Chen, X. Li. Can Excited State Electronic Coherence Be Tuned via Molecular Structural Modification? A First-Principles Quantum Electronic Dynamics Study of Pyrazolate-Bridged Pt(II) Dimers. J. Phys. Chem. A 2017, 121, 1932-1939. link

S. Loser, S. J. Lou, B. M. Savoie, C. J. Bruns, A. Timalsina, M. J. Leonardi, J. Smith, T. Harschneck, R. Turrisi, N. Zhou, C. L. Stern, A. A. Sarjeant, A. Facchetti, R. P. H. Chang, S. I. Stupp, M. A. Ratner, L. X. Chen, T. J. Marks, T. J. Systematic evaluation of structure-property relationships in heteroacene – diketopyrrolopyrrole molecular donors for organic solar cells. J. Mater. Chem. A 2017, 5, 9217-9232. link

E. F. Manley, J. Strzalka, T. J. Fauvell, N. E. Jackson, M. J. Leonardi, N. D. Eastham, T. J. Marks, L. X. Chen. In Situ GIWAXS Analysis of Solvent and Additive Effects on PTB7 Thin Film Microstructure Evolution during Spin. Advanced Materials 2017, 29, 1703933. link

M. A. Mosquera, N. E. Jackson, T. J. Fauvell, M. S. Kelly, L. X. Chen, G. C. Schatz, M. A. Ratner. Exciton Absorption Spectra by Linear Response Methods: Application to Conjugated Polymers. J. Am. Chem. Soc., 2017, 139, 3728-3735. link

D. Rimmerman, D. Leshchev, D. J. Hsu, J. Hong, I. Kosheleva, L. X. Chen. Direct Observation of Insulin Association Dynamics with Time-Resolved X-ray Scattering. J. Phys. Chem. Lett. 2017, 8, 4413-4418. link

G. D. Scholes, G. R. Fleming, L. X. Chen, A. Aspuru-Guzik, A. Buchleitner, D. F. Coker, G. S. Engel, R. van Grondelle, A. Ishizaki, D. M. Jonas, J. S. Lundeen, J. K. McCusker, S. Mukamel, J. P. Ogilvie, A. Olaya-Castro, M. A. Ratner, F. C. Spano, K. B. Whaley, X. Zhu. Using coherence to enhance function in chemical and biophysical systems. Nature 2017, 543, 647-656. link

G. Wang, W. Huang, N. D. Eastham, S. Fabiano, E. F. Manley, L.  Zeng, B. Wang, X. Zhang, Z. Chen, R. Li, R. P. H. Chang, L. X. Chen, M. J. Bedzyk, F. S. Melkonyan, A. Facchetti, T. J. Marks. Aggregation control in natural brush-printed conjugated polymer films and implications for enhancing charge transport. Proc. Natl. Acad. Sci., 2017, 114, E10066-E10073. link

G. Wolfowicz, C. P. Anderson, A. L. Yeats, S. J. Whiteley, J. Niklas, O. G. Poluektov, F. J. Heremans, D. D. Awschalom. Optical charge state control of spin defects in 4H-SiC. Nature Communications, 2017, 8, 1876. link

Z. Huang, D. Liu, J. Camacho-Bunquin, G. Zhang, D. Yang, J. López- Encarnación, Y. Xu, M. Ferrandon, J. Niklas, O. Poluektov, J. Jellinek, A. Lei, E. Bunel, M. Delferro. Supported Single-Site Ti(IV) on a Metal–Organic Framework for the Hydroboration of Carbonyl Compounds. Organometallics, 2017, 36, 3921–3930. link

S. A. J. Thomson, J. Niklas, K. L. Mardis, C. Mallares, I. D. W. Samuel, O. G. Poluektov. Charge Separation and Triplet Exciton Formation Pathways in Small Molecule Solar Cells as Studied by Time-resolved EPR Spectroscopy. J. Phys. Chem. C, 2017, 121, 22707-22719. link

A. S. Batchellor, G. Kwon, F. A. L. Laskowski, D. M. Tiede, S. W. Boettcher. Domain Structures of Ni and NiFe (Oxy)Hydroxide Oxygen-Evolution Catalysts from X-ray Pair Distribution Function Analysis. J. Phys. Chem. C, 2017, 121, 25421-25429. link

J. S. Plegaria, M. Sutter, B. Ferlez, C. Aussignargues, J. Niklas, O. G. Poluektov, C. Fromwiller, M. TerAvest, L. M. Utschig, D. M. TiedeC. A. Kerfeld. Structural and Functional Characterization of a Short-Chain Flavodoxin Associated with a Non-Canonical PDU Bacterial Microcompartment. Biochemistry, 2017, 56, 5679-5690. link Highlighted by MSU here.

L. Kohler, R. G. Hadt, D. Hayes, L. X. Chen, K. L. Mulfort. Synthesis, structure, and excited state kinetics of heteroleptic Cu(I) complexes with a new sterically demanding phenanthroline ligand. Dalton Trans., 2017, 46, 13088-13100. link

N. Singh, J. Niklas, O.G. Poluektov, K.M. van Heuvelen, A. Mukherjee. Mononuclear nickel(II) and copper(II) coordination complexes supported by bispicen ligand derivatives: Experimental and computational studies. Inorg. Chim. Acta, 2017, 455, 221-230. link

M. Ortiz, S. Cho, J. Niklas, S. Kim, O.G. Poluektov, W. Zhang, G. Rumbles, J. Park. Through-Space Ultrafast Electron Transfer Dynamics of a C70-Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium. J. Am. Chem. Soc., 2017, 139, 4286-4289. link

E. Boros, R. Srinivas, R. H.K. Kim, A.M. Raitsimring, A.V. Astashkin, O.G. Poluektov, J. Niklas, A.D. Horning, B. Tidor, P. Caravan. Intramolecular Hydrogen Bonding Restricts Gd-Aqua-Ligand Dynamics. Angew. Chem. Int. Ed., 2017, 56, 5603-5606. link

H. Sohn, J. Camacho-Bunquin, R.R. Langeslay, P.A. Ignacio-de Leon, J. Niklas, O.G. Poluektov, C. Liu, J.G. Connel, D. Yang, J. Kropf, H. Kim, P. Stair, M. Ferrandon, M. Delferro. Isolated, Well-defined Organovanadium(III) on Silica: Single-Site Catalysts for Hydrogenation of Alkenes and Alkynes. Chem. Comm., 2017, 53, 7325-7328. link

J. Ho, E. Kish, D.D. Mendez-Hernandez, K. WongCarter, S. Pillai, G. Kodis, J. Niklas, O.G. Poluektov, D. Gust, T.A. Moore, A.L. Moore, V.S. Batista, B. Robert. Triplet-Triplet Energy Transfer in Artificial and Natural Photosynthetic Antennas. Proc. Natl. Acad. Sci., 2017, 114, E5513-E5521. link

J. Niklas, O. G. Poluektov. Charge Transfer Processes in OPV Materials as Revealed by EPR Spectroscopy. Adv. Energy Mat., 2017, 7, 1602226. link

C. N. Brodsky, R. G. Hadt, D. Hayes, B. J. Reinhart, N. Li, L. X. Chen, D. G. Nocera. In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts. Proc. Natl. Acad. Sci. USA, 2017, 114, 3855-3860. link

K. L. Mulfort. Interrogation of cobaloxime-based supramolecular photocatalyst architectures, Comptes Rendus Chimie 2017, 20, 221-229. link

N. Li, D. K. Bediako, R. G. Hadt, D. Hayes, T. J. Kempa, F. von Cube, D. C. Bell, L. X. Chen, D. G. Nocera. Influence of iron doping on tetravalent nickel content in catalytic oxygen evolving films, Proc. Natl. Acad. Sci. USA, 2017, 114, 1486-1491. link

S. R. Soltau, J. Niklas, P. D. Dahlberg, K. L. Mulfort, O. G. Poluektov, L. M.UtschigCharge Separation Related to Photocatalytic H2 Production from a Ru–Apoflavodoxin–Ni Biohybrid, ACS Energy Lett., 20172, 230-237. link


C.J. Yu, M.J. Graham, J.M. Zadrozny, J. Niklas, M.D. Krzyaniak, M.R. Wasielewski, O.G. Poluketov, D.E. Freedman. Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits. J. Am. Chem. Soc., 2016, 138, 14678-14685. link

B. Pandit, T. Zheng, N. E. Jackson, E. F. Manley, M. E. Orr, T. Fauvell, S. E. Brown-Xu, L. Yu, L. X. Chen, Molecular Structure Controlled Transitions Between Free Charge Generation and Trap Formation in a Conjugated Copolymer Series, J. Phys. Chem. C., 2016, 120, 4189–4198. link

T. J. Fauvell, T. Zheng, N. E. Jackson, M. A. Ratner, L. Yu, L. X. Chen. Photophysical and Morphological Implications of Single-Strand Conjugated Polymer Folding in Solution, Chem. Mater, 2016, 28, 2814–2822. link

X. Guo, Q. Liao, E. F. Manley, Z. Wu, Y. Wang, W. Wang, T. Yang, Y.-E. Shin, X. Cheng, Y. Liang, L. X. Chen, K.-J. Baeg, T. J. Marks, X. Guo. Materials Design via Optimized Intramolecular Noncovalent Interactions for High-Performance Organic Semiconductors,  Chem. Mater., 201628, 2449–2460. link

M. A. Mosquera, L. X. Chen, M. A. Ratner, G. C. Schatz. Sequential Double Excitations from Linear-response Time-dependent Density Functional Theory, J. Chem. Phys., 2016, 144, 204105. link

M. S. Kirschner, C. M. Lethiec, X.-M. Lin, G. C. Schatz, L. X. Chen, R. D. Schaller. Size Dependent Coherent Phonon Plasmon Modulations and Dephasing in Gold Bipyramids and Nanojavelins, ACS Photonics, 2016, 3, 758-763. link

H.-C. Liao, T. L. D. Tam, P. Guo, Y. Wu, E. F. Manley, W. Huang, N. Zhou, C. M. M. Soe, M. R. Wasielewski, L. X. Chen, M. Kanatzidis, A. Facchetti, R. Chang, T. J. Marks. Dopant-Free Hole-Transporting Polymers for High Efficiency, Environmentally Stable Perovskite Solar Cells, Advanced Energy Materials, 2016, 6, 1600502. link

N. E. Jackson, L. X. Chen, M. A. Ratner. Electron Transport Network Dynamics in Non-Crystalline Molecular Materials, Proc. Natl. Acad. Sci. USA., 2016, 113, 8595-8600. link

L. X. Chen, M. L. Shelby, P. J. Lestrange, N. E. Jackson, K. Haldrup, M. W. Mara, A. B. Stickrath, D. Zhu, H. Lemke, M. Chollet, B. M. Hoffman, X. Li. Imaging Ultrafast Excited State Pathways in Transition Metal Complexes by X-ray Transient Absorption and Scattering Using X-ray Free Electron Laser Source, Faraday Discussions, 2016, 194, 639-658. link

L. Li, Z. Cai, Q. Wu, W.-Y. Lo, N. Zhang, L. X. Chen, L. Yu. Rational Design of Porous Conjugated Polymers and Roles of Residual Palladium for Photocatalytic Hydrogen Production, J. Am. Chem. Soc., 2016138, 7681–7686. link

C. M. M. Soe, C. C. Stoumpos, B. Harutyunyan, E. F. Manley, L. X. Chen, M. J. Bedzyk, T. J. Marks, M. G. Kanatzidis. Room-Temperature Phase Transition in Methylammonium Lead Iodide Perovskite Thin Films Induced by Hydrohalic Acid Additive, ChemSusChem, 2016, 9, 2656 – 2665. link

N. E. Jackson, K. L. Kohlstedt, L. X. Chen, M. A. Ratner. A n-Vector Model for Charge Transport in Molecular Semiconductors, J. Chem. Phys.2016, 145, 204102. link

D. Hayes, R. G. Hadt, J. D. Emery, A. A. Cordones, A. B. F. Martinson, M. L. Shelby, K. A. Fransted, P. D. Dahlberg, J. Hong, X. Zhang, Q. Kong, R. W. Schoenlein, L. X. Chen. Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance, Energy Environ. Sci., 2016, 9, 3754-3769. link

D. Moonshiram, A. Guda, L. Kohler, A. Picon, S. Guda, C. S. Lehmann, X. Zhang, S. H. Southworth, K. L. Mulfort. Mechanistic evaluation of a nickel proton reduction catalyst using time-resolved X-ray absorption spectroscopy, J. Phys. Chem. C, 2016, 120, 20049-20057. link

K. Haldrup, A. Dohn, M. L. Shelby, M. W. Mara, A. B. Stickrath , M. R. Harpham, J. Huang, X. Zhang, K. B. Møller, D. M. Tiede, L. X. Chen. Butterfly deformation modes in a photo-excited pyrazolate-bridged Pt-complex measured by time-resolved X-ray scattering in solution, , J. Phys. Chem. A., 2016, 120, 7475–7483. link

S. R. Soltau, P. D. Dahlberg, J. Niklas, O. G. Poluektov, K. L. Mulfort, L. M. Utschig. Ru-protein-Co biohybrids designed for solar hydrogen production: understanding electron transfer pathways related to photocatalytic function, Chem. Sci., 2016, 7, 7068-7078. link

R. G. Hadt, D. Hayes, C. N. Brodsky, A. M. Ullman, D. M. Casa, M. H. Upton, D. G. Nocera, L. 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, J. Am. Chem. Soc., 2016, 138, 11017-11030. link

M. L. Shelby, P. J. Lestrange, N. E. Jackson, K. Haldrup, M. W. Mara, A. B. Stickrath, D. Zhu, H. T. Lemke, M. Chollet, B. M. Hoffman, X. Li, L. X. Chen. Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy, J. Am. Chem. Soc., 2016, 138, 8752-8764. link

L. Li, R. G. Hadt, S. Yao, W.-Y. Lo, Z. Cai, Q. Wu, B. Pandit, L. X. Chen, L. Yu. Photocatalysts Based on Cobalt-Chelating Conjugated Polymers for Hydrogen Evolution from Water, Chem. Mater., 2016, 28, 5394-5399. link

M. Bacchi, E. Veinberg, M. J. Field, J. Niklas, T. Matsui, D. M. Tiede, O. G. Poluektov, M. Ikeda-Saito, M. Fontecave, V. Artero. Artificial hydrogenases based on cobaloximes and heme oxygenase, ChemPlusChem2016, 81, 1083-1089. link

D. Basu, S. Mazumder, J. Niklas, H. Baydoun, D. Wanniarachchi, X. Shi, R. J. Staples, O. Poluektov, H. B. Schlegel, C. N. Verani. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation, Chem. Sci., 2016, 7, 3264-3278. link

K. R. Yang, A. J. Matula, G. Kwon, J. Hong, S. W. Sheehan, J. M. Thomsen, G. W. Brudvig, R. H. Crabtree, D. M. Tiede, L. X. Chen, V. S. Batista. Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy, J. Am. Chem. Soc. 2016, 138, 5511-5514. link

K. L. Mulfort, L. M. Utschig. Modular homogeneous chromophore–catalyst assemblies, Acc. Chem. Res. 2016, 49, 835-843. link

L. Kohler, D. Hayes, J. Hong, T. J. Carter, M. L. Shelby, K. A. Fransted, L. X. Chen, K. L. Mulfort. Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores, Dalton Trans. 2016, 45, 9871-9883. link

B. Pandit, T. Zheng, N. E. Jackson, E. F. Manley, M. E. Orr, T. Fauvell, S. E. Brown-Xu, L. Yu, L. X. Chen. Molecular Structure Controlled Transitions Between Free Charge Generation and Trap Formation in a Conjugated Copolymer Series, J. Phys. Chem. C., 2016, 120, 4189-4198. link

S. E. Brown-Xu, M. S. Kelley, K. A. Fransted, F. N. Castellano, L. X. Chen. Pyrazolate-Bridged Pt(II) Dimers with Tunable Pt-Pt Distances Enable Control Over the Excited State Properties and Dynamics, J. Phys. Chem. A.­­ 2016120, 543–550. link

N. Zhou, A. Dudnik, T. Li, E. Manley, T. Aldrich, P. Guo, H.-C. Liao, Z. Chen, L. Chen, R. Chang, A. Facchetti, M. Olvera de la Cruz, T. Marks. All-Polymer Solar Cell Performance Optimized via Systematic Molecular Weight Tuning of both Donor and Acceptor Polymers, J. Am. Chem. Soc. 2016138, 1240–1251. link

J. Huang, Y. Tang, K. L. Mulfort, X. Zhang. The direct observation of charge separation dynamics in CdSe quantum dots/cobaloxime hybrids, Phys. Chem. Chem. Phys., 2016, 18, 4300-4303. link


J. Zadrozny, J. Niklas, O. G. Poluektov, D. Freedman. Millisecond Coherence Time in a Tunable Molecular Electronic Spin Qubit, ACS Central Science, 2015, 1, 488-492.

K. L. Mardis, J. N. Webb, T. Holloway, J. Niklas, O. G. Poluektov. Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions: A Combined EPR and DFT Study, J. Phys. Chem. Lett., 2015, 6, 4730-4735.

R. J. Ellis, T. Demars, G. Liu, J. Niklas, O. G. Poluektov, I. A. Shkrob. In the Bottlebrush Garden: The Structural Aspects of Coordination Polymer Phases formed in Lanthanide Extraction with Alkyl Phosphoric Acids, J. Phys. Chem. B, 2015, 119, 11910-11927.

J. Niklas, M. Westwood, K.L. Mardis, T. Brown, A. Pitts-McCoy, M.D. Hopkins, O.G. Poluektov. X-Ray Crystallographic, Multifrequency Electron Paramagnetic Resonance, and Density Functional Theory Characterization of the Ni(PCy2NtBu2)2n+ Hydrogen Oxidation Catalyst in the Ni(I) Oxidation State, Inorg. Chem., 2015, 54, 6226-6234.

J. Niklas, S. Beaupré, M. Leclerc, T. Xu, L. Yu, A. Sperlich, V. Dyakonov, O.G. Poluektov. Photoinduced Dynamics of Charge Separation: From Photosynthesis to Polymer-Fullerene Bulk Heterojunctions, J. Phys. Chem. B, 2015, 119, 7407-7416.

J. Camacho-Bunquin, N. A. Siladke, G. Zhang, J. Niklas, O. G. Poluektov, S. T. Nguyen, J. T. Miller, A. S. Hock. Synthesis and Catalytic Hydrogenation Reactivity of a Chromium Catecholate Porous Organic Polymer, Organometallics, 2015, 34, 947–952.

D. Basu, S. Mazumder, X. Shi, H. Baydoun, J. Niklas, O. Poluektov, H. B. Schlegel, C. N. Verani. Ligand Transformations and Efficient Proton/Water Reduction with Cobalt Catalysts Based on Pentadentate Pyridine-Rich Environments, Ang. Chem. Int. Ed., 2015, 54, 2105 –2110.

B. Hu, A. Getsoian, N.M. Schweitzer, U. Das, H.S. Kim, J. Niklas, O.G. Poluektov, L.A. Curtis, P.C. Stair, J.T. Miller, A.S. Hock. Selective Propane Dehydrogenation with Single Site Co(II) on SiO2 by a Non-redox Mechanism, Journal of Catalysis, 2015, 322, 24-37.

G. Kwon, O. Kokhan, A. Han, K. W. Chapman, P. J. Chupas, P. Du, D. M. Tiede. Oxyanion Induced Variations in Domain Structure for Amorphous Cobalt Oxide Oxygen Evolving Catalysts, Resolved by X-ray Pair Distribution Function Analysis, Acta Crystal. B, 2015, 71, 713-721. (Energy Materials Special Issue.) link

M. W. Mara, K. A. Fransted, L.X. Chen. Interplays of Excited State Structures and Dynamics in Copper(I) Diimine Complexes: Implications and Perspectives, Coord. Chem. Rev., 2015, 282, 2-18.

M. W. Mara, D. N. Bowman, O. Buyukcakir, M. L. Shelby, K. Haldrup, J. Huang, M. R. Harpham, A. B. Stickrath, X. Zhang, J. F. Stoddart, A. Coskun, E. Jakubikova, L. X. Chen. Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices, J. Am. Chem. Soc. 2015137, 9670- 9684.

A. M Schneider, L. Lu, E. F. Manley, T. Zheng, T. Xu, T. J. Marks, L. X. Chen, L. Yu. Wide Bandgap OPV Polymers Based on Pyridinonedithiophene and Their Use as an Efficient Energy Relay in Ternary Organic Solar Cells, Chem. Sci. 20156, 4860-4866.

N. E. Jackson, K. L. Kohlstedt, B. M. Savoie, M. Olvera de la Cruz, G. C. Schatz, L. X. Chen, M. A. Ratner. Conformational Order in Aggregates of Conjugated Polymers, J. Am. Chem. Soc. 2015137, 6254–6262.

B. M. Savoie, L. X. Chen, M. A. Ratner, A Simple Index for Characterizing Charge Transport in Molecular Materials, Nicholas E. Jackson, J. Phys. Chem. Lett. 20156, 1018–1021.

N. E. Jackson, B. M. Savoie, T. J. Marks, L. X. Chen, M. A. Ratner, The Next Breakthrough for Organic Photovoltaics?, J. Phys. Chem. Lett. 20156, 77−84.

S. Cho, B. S. Rolczynski, T. Xu, L. Yu, L. X. Chen. Solution Phase Exciton Diffusion Dynamics of a Charge-transfer Copolymer PTB7 and a Homopolymer P3HT, J. Phys. Chem. B. 2015119, 7447–7456.

S. R. Soltau, J. Niklas, P. D. Dahlberg, D. M. Tiede, O. G. Poluektov, K. L. Mulfort, L. M. Utschig. Aqueous light-driven hydrogen production by a Ru-Ferredoxin-Co biohybrid, Chem. Commun., 2015, 51, 10628-10631.

O. G. Poluektov, L. M. Utschig.  Directionality of electron transfer in Type I reaction center proteins:  High-frequency EPR study of PSI with removed iron-sulfur centers, J. Phys. Chem. B, 2015, 119, 13771-13776.

L. M. Utschig, S. R. Soltau, D. M. Tiede.  Light-driven hydrogen production from Photosystem I-catalyst hybrids, Curr. Opin. Chem. Biol., 2015, 25, 1-8.

O. Kokhan, N. Ponomarenko, R. Pokkuluri, M. Schiffer, K. L. Mulfort, D. M. Tiede. Characterizing photoinduced electron transfer in Ruthenium(II)-tris-bipyridyl modified PpcA, a multi-heme c-type cytochrome from Geobactor sulfurreducens, J. Phys. Chem. B, 2015, 119, 7612-7624 (John R. Miller and Marshall D. Newton Festschrift).

S. Li, Y.-S. Chen, K. L. Mulfort. Synthetic control over structure in bimetallic Ru(III)-Co(II) metal-organic frameworks, CrystEngComm, 2015, 17, 1005-1009.


J. Zadrozny, J. Niklas, O.G. Poluektov, D. Freedman. Multiple Quantum Coherences from Hyperfine Transitions in a Vanadium(IV) Complex, J. Amer. Chem. Soc., 2014, 136, 15841-15844.

K.K. Tanabe, M.S. Ferrandon, N.A. Siladke, S.J. Kraft, G. Zhang, J. Niklas, O.G. Poluektov, S.J. Lopykinski, E.E. Bunel, T.R. Krause, J.T. Miller, A.S. Hock, S.T. Nguyen. Discovery of Highly Selective Alkyne Semihydrogenation Catalysts Based on First-Row Transition-Metallated Porous Organic Polymers, Angew. Chem. Int. Ed., 2014, 53, 12055-12058.

I.A. Shkrob, A.J. Kropf, T.W. Marin, Y. Li, O.G. Poluektov, J. Niklas, D.P. Abraham. Manganese in Graphite Anode and Capacity Fade in Li-Ion Batteries, J. Phys. Chem. C, 2014, 18, 24335-24348.

J. D. Megiatto, D. D. Méndez-Hernández, M. E. Tejeda-Ferrari, A.-L. Teillout, O. G. Poluektov, T. Rajh, V. Mujica, T. L. Groy, D. Gust, T. A. Moore, A. L. Moore. A bioinspired construct that mimics radical interactions of the Tyr-His pairs of photosystem II, Nature Chemistry, 2014, 6, 423-428.

O. G. Poluektov, J. Niklas, K. L. Mardis, S. Beaupré, M. Leclerc, C. Villegas, S. Erten-Ela, J. L. Delgado, N. Martin, A. Sperlich, V. Dyakonov, V. Electronic Structure of Fullerene Heterodimer in Bulk-Heterojunction Blends, Advanced Energy Materials, 2014, 4, 1301517.

J. Niklas, J. M. Holt, K. Mistry, G. Rumbles, J. Blackburn, O. G. Poluektov. “Charge Separation in SWNT:P3HT Blends Studied by EPR: Spin Signature of the Photoinduced Charged State in SWCNT”, J. Phys. Chem. Lett., 2014, 5, 601-606.

O. Kokhan, N. Ponomarenko, P. R. Pokkuluri, M. Schiffer, D. M. Tiede. Multimerization of Solution-State Proteins by Tetrakis(4-Sulfonatophenyl) Porphyrin. Biochemistry, 2014, 53, 5070-5079.

J. Huang, J. D. Blakemore, O. Kokhan, N. D. Schley, R. H. Crabtree, G. W. Brudvig, D. M. Tiede. Domain Structure for the Amorphous Iridium-oxide Water Oxidation Catalyst Characterized by X-ray Pair Distribution Function Analysis, Phys. Chem. Chem. Phys., 2014, 16, 1814-1819. Selected by PCCP Editor as a weekly HOT article 16 Dec 2014.

J. Huang, M. W. Mara, A. B. Stickrath, O. Kokhan, M. R. Harpham, K Haldrup, M. L. Shelby, X. Zhang, R. Ruppert, J. P. Sauvage, L. X. Chen. Strong Steric Hindrance Effect on Ground State, Excited State, and Charge Separated State Properties of CuI-Diimine Complex Captured by X-ray Transient Absorption Spectroscopy, Dalton Trans. 2014, 43, 17615-17623. Journal cover.

M. Bacchi, G. Berggren, J. Niklas, E. Veinberg, M. W. Mara, M. L. Shelby, O. G. Poluektov, L. X. Chen, D. M. Tiede, C. Cavazza, M. J. Field, M. Fontecave, V. Artero. Cobaloxime-Based Artificial Hydrogenases, Inorg. Chem. 2014, 53, 8071-8082.

L. X. Chen, X. Zhang, M. L. Shelby. Recent Advances of Ultrafast X-ray Spectroscopy in Chemical Sciences, Chem. Sci. 2014, 5, 4136-4152. (Invited mini-review)

M. L. Shelby, M. W. Mara, L. X. Chen. New Insight into Metalloporphyrin Excited State Structures and Axial Ligand Binding from X-ray Transient Absorption Spectroscopic Studies, Coord. Chem. Rev. 2014, 277, 291-299.

K. A. Fransted, N. E. Jackson, R. Zong, M. W. Mara, J. Huang, M. R. Harpham, M. L. Shelby, R. P. Thummel, L. X. Chen. Ultrafast Structural Dynamics of Cu(I)-Bicinchoninic Acid and Their Implications for Solar Energy Applications, J. Phys. Chem. A. 2014, 10497–10506.

X. Zhang, S. E. Canton, G. Smolentsev, C.-J. Wallentin, Y. Liu, Q. Kong, K. Attenkofer, A. B. Stickrath, M. W. Mara, L. X. Chen, K. Wärnmark, V. Sundström. Highly Accurate Excited-State Structure of [Os(bpy)2dcbpy]2+ Determined by X-ray Transient Absorption Spectroscopy, J. Am. Chem. Soc. 2014, 136, 8804–8809.

T. Zheng, L. Lu, N. E. Jackson, S. J. Lou, L. X. Chen, L. Yu. Roles of Quinoidal Character and Regioregularity in Determining the Optoelectronic and Photovoltaic Properties of Conjugated Copolymers, Macromolecules, 201447, 6252-6259.


R. Chatterjee, C. S. Coates, S. Milikisiyants, C-I. Lee, A. Wagner, O. G. Poluektov, and K. V. Lakshmi. High-Frequency Electron Nuclear Double-Resonance Spectroscopy Studies of the Mechanism of Proton-Coupled Electron Transfer at the Tyrosine-D Residue of Photosystem II, Biochemistry, 2013, 52, 4781–4790.

J. Niklas, K.L. Mardis, B.P. Banks, G.M. Grooms, A. Sperlich, V. Dyakonov, S. Beaupre, M. Leclerc, T. Xu, L. Yu, O.G. Poluektov. Highly-Efficient Charge Separation and Polaron Delocalization in Polymer-Fullerene Bulk-Heterojunctions: A Comparative Multi-Frequency EPR & DFT Study, Phys. Chem. Chem. Phys., 2013, 15, 9562–9574.

S. Antipov, O. Poluektov, P. Schoessow, A. Kanareykin, C. Jing. Photoinduced Spin Polarization and Microwave Technology, Nuclear Inst. and Methods in Physics Research, A, 2013, 700, 171-178.

J. Niklas, K. L. Mardis, B. P. Banks, G. M. Grooms, A. Sperlich, V. Dyakonov, S. Beaupré, M. Leclerc, T. Xu, L. Yu, O. G. Poluektov. Highly-Efficient Charge Separation and Polaron Delocalization in Polymer-Fullerene Bulk-Heterojunctions: A Comparative Multi-Frequency EPR & DFT Study, arXiv:1305.6434,

N. M. Dimitrijevic, S. Tepavcevic, Y. Liu, T. Rajh, S. C. Silver, D. M. Tiede. Nanostructured TiO2/Polypyrrole for Visible Light Photocatalysis, J. Phys. Chem. C 2013, 117, 15540-15544.

T. Faunce, S. Styring, M. R Wasielewski, G. W. Brudvig, A. W. Rutherford, J. Messinger, A. F. Lee, C. L. Hill, H. deGroot, M. Fontecave, D. R. MacFarlane, B. Hankamer, D. G Nocera , D. M. Tiede, H. Dau, W. Hillier, L. Wang. Artificial Photosynthesis as a Frontier Technology for Energy Sustainability, Energy Environ. Sci., 2013, 6, 1074–1076.

A. Mukherjee, O. Kokhan, J. Huang, J. Niklas, L. X. Chen, D. M. Tiede, K. L. Mulfort. Detection of a charge-separated catalyst precursor state in a linked photosensitizer-catalyst assembly, Phys. Chem. Chem. Phys., 2013, 15, 21070-21076. Selected as a HOT article on PCCP blog, 18 November 2013.

K. L. Mulfort, A. Mukherjee, O. Kokhan, P. Du, D. M. Tiede. Structure-based analyses of solar fuels catalysts using in situ X-ray scattering, Chem. Soc. Rev., 2013, 42, 2215-2227.

S. C. Silver, J. Niklas, O. G. Poluektov, D. M. Tiede, L. M. Utschig.  Protein delivery of a Ni catalyst to photosystem I for light-driven hydrogen production,  J. Am. Chem. Soc., 2013, 135, 13246-13249.

L. X. Chen, X. Zhang. Photochemical Processes Revealed by X-ray Transient Absorption Spectroscopy, J. Phys. Chem. Lett. 2013, 4, 4000–4013. (Invited Perspective article)

M. W. Mara, A. B. Stickrath, M. L. Shelby, M. R. Harpham, J. Huang, X. Zhang, L. X. Chen. Electronic and Nuclear Structural Snapshots in Ligand Dissociation and Recombination Processes of Iron Porphyrin in Solution: A Combined Optical/X-ray Approach, J. Phys. Chem. B 2013, 117, 14089–14098.

E. Borfecchia, C. Garino, L. Salassa, T. Ruiu, D. Gianolio, X. Zhang, K. Attenkofer, L. X. Chen, R. Gobetto, P. J. Sadler, C. Lamberti. X-ray transient absorption structural characterization of the 3MLCT triplet excited state of cis-[Ru(bpy)2(py)2]2+, Dalton Trans. 2013, 42, 6564-6571.

M. T. Vagnini, M. W. Mara, M. R. Harpham, J. Huang, M. L. Shelby, L. X. Chen, M. R. Wasielewski. Interrogating Photogenerated Higher Valence States of a Water Oxidation Catalyst in an Acceptor-Chromophore-Catalyst Triad, Chem. Sci. 2013, 4, 3863-3873.

M. R. Harpham, A. B. Stickrath, X. Zhang, J. Huang, M. W. Mara, L. X. Chen, D.-J. Liu. Photodissociation Structural Dynamics of Triruthenium Dodecacarbonyl Investigated by X-Ray Transient Absorption Spectroscopy, J. Phys. Chem. A. 2013, 117, 9807–9813. (Takashi Oka Special Issue)

H. T. Lemke, C. Bressler, L. X. Chen, D. M. Fritz, K. J. Gaffney, A. Galler, W. Gawelda, K. Haldrup, R. W. Hartsock, H. Ihee, J. Kim, J. H. Lee, M. M. Nielsen, A. B. Stickrath, W. Zhang, D. Zhu, M. Cammarata. Femtosecond X-ray Absorption Spectroscopy at a Hard X-ray Free Electron Laser: Application to Spin Crossover Dynamics, J. Phys. Chem. A, 2013, 117, 735–740.

J. D. Blakemore, M. W. Mara, M. N. Kushner-Lenhoff, N. D. Schley, S. J. Konezny, I. Rivalta, C. F. A. Negre, R. C. Snoeberger, J. Huang, A. Stickrath, M. L. Parr, L. X. Chen, D. M. Tiede, V. S. Batista, G. W. Brudvig, R. H. Crabtree. Characterization and modeling of an amorphous iridium oxide water-oxidation catalyst with a carbon admixture, Inorg. Chem. 2013, 52, 1860-1871.

M. W. Mara, N. E. Jackson, J. Huang, A. B. Stickrath, M. R. Harpham, K. M. Haldrup, N. A. Gothard, L. X. Chen. Ultrafast Structural Dynamics of bis(2,9-di-phenyl-1,10-phenanthroline)copper(I) Using X-ray Transient Absorption Spectroscopy, J. Phys. Chem. B. 2013, 117, 1921–1931.

A. B. Stickrath, M. W. Mara, J. V. Lockard, M. R. Harpham, X. Zhang, K. Attenkofer, L. X. Chen. Detailed Transient Heme Structures of Mb-CO in Solution after CO Dissociation: An X-ray Transient Absorption Spectroscopic Study, J. Phys. Chem. A. 2013, 117, 4705 – 4712 (2013). (Paul Barbara Special Issue)


A. Abouimrane, W. Weng, H. Eltayeb, Y. Cui, J. Niklas, O. Poluektov, K. Amine. Sodium insertion in carboxylate based materials and their application in 3.6 V full sodium cells, Energy Environ. Sci., 2012, 5, 9632-9638.

F. A. Beckford, J. Thessing, A. Stott, A. A. Holder, O. G. Poluektov, L. Li, N. P. Seeram. Anticancer activity and biophysical reactivity of copper complexes of 2-(benzo[d][1,3]dioxol-5-ylmethylene)-N-alkylhydrazinecarbothioamides, Inorg. Chem. Comm., 2012, 15, 225–229.

T. Berthold, E. D. von Gromoff, S. Santabarbara, P. Stehle, G. Link, O. G. Poluektov, P. Heathcote, C. F. Beck, M. C. Thurnauer, G. Kothe. Exploring the Electron Transfer Pathways in Photosystem I by High-Time Resolution Electron Paramagnetic Resonance: Observation of the B-side Radical Pair P700+A1B in Whole Cells of the Deuterated Green Alga Chlamydomonas reinhardtii at Cryogenic Temperatures, JACS, 2012, 134, 5563-5576.

R. Chatterjee, C. Coates, S. Milikisiyants, O. G. Poluektov, K. V. Lakshmi. The Structure and Function of Quinones in Biological Solar Energy Transduction: A High-Frequency D-Band EPR Spectroscopy Study of Model Benzoquinones, J. Phys. Chem. B, 2012, 116, 676-682.

D. M. Cropek, A. Metz, A. M. Müller, H. B. Gray, T. Horne, D. C. Horton, O. Poluektov, D. M. Tiede, R. T. Weber, W. L. Jarrett, J. D. Phillips, A. A. Holder. A novel ruthenium(II)–cobaloxime supramolecular complex for photocatalytic H2 evolution: synthesis, characterisation and mechanistic studies, Dalton Trans., 2012, 41, 13060-13073.

P. Du, O. Kokhan, K. W. Chapman, P. J. Chupas, D. M. Tiede. Elucidating the Domain Structure of the Cobalt-oxide Water Splitting Catalyst by X-ray Pair Distribution Function Analysis, J. Am. Chem. Soc. 2012, 134, 11096-11099. Highlighted: Editor’s Spotlight, J. Am. Chem. Soc. 2012, 134, 12879−12880; Royal Society of Chemistry Research News, Chemistry World, 16 July 2012. Advanced Photon Source Research Highlight Aug. 14, 2012:

L. Huang, N. Ponomarenko, G. P. Wiederrecht, D. M. Tiede. Resolution of Cofactor-Specific Excited States and Charge Separation Pathways in Photosynthetic Reaction Centers by Single Crystal Spectroscopy, Proc. Nat. Acad. Sci. USA 2012, 109, 4851-4856. Highlighted: DOE Office of Science Story of Discovery & Innovation (07.09.12):

B. Adams, M. Borland, L. X. Chen, P. Chupas, N. Dashdor, G. Doumy, E. Dufresne, S. Durbin, H. Düurr, P. Evans, T. Graber, R. Henning, E. P. Kanter, D. Keavney, C. Kurtz, Y. Li, A. M. March, K. Moffat, A. Nassiri, S. H. Southworth, V. Srajer, D. M. Tiede, D. Walko, J. Wang, H. Wen, L. Young, X. Zhang, A. Zholents. X-ray Capabilities on the Picosecond Timescale at the Advanced Photon Source, Synchrotron Rad. News 2012, 25, 6-10.

J. Huang, O. Buyukcakir, M. W. Mara, A. Coskun, N. M. Dimitrijevic, G. Barin, O. Kokhan, A. B. Stickrath, R. Ruppert, D. M. Tiede, J. F. Stoddart, J.-P. Sauvage, L. X. Chen. Highly Efficient Ultrafast Electron Injection from the Singlet MLCT Excited State of Cu(I)-Diimine Complexes to TiO2 Nanoparticles, Angew. Chem. Intl. Ed. 2012, 51, 12711–12715.

J. Huang, K. L. Mulfort, P. Du, L. X. Chen. Photodriven charge separation dynamics in CdSe/ZnS core/shell quantum dots/cobaloxime hybrid for efficient hydrogen production, J. Am. Chem. Soc., 2012, 134, 16472.

J. Niklas, K. L. Mardis, R. R. Rakhimov, K. L. Mulfort, D. M. Tiede, O. G. Poluektov. The hydrogen catalyst cobaloxime—a multi-frequency EPR and DFT study of cobaloxime’s electronic structure, J. Phys. Chem. B, 2012, 116, 2943.

R. S. Khnayzer, M. W. Mara, J. Huang, L. X. Chen, F. N. Castellano. Structure and Activity of Photochemically Deposited “CoPi” Oxygen Evolving Catalyst on Titania, ACS Catalysis, 2012, 2, 2150–2160. (Top 10 most read articles)

M. R. Harpham, S. C. Nguyen, Z. Hou, J. C. Grossman, C. B. Harris, M. W. Mara, A. B. Stickrath, Y. Kanai, A. M. Kolpak, D. Lee, D.-J. Liu, J. P. Lomont, K. Moth-Poulsen, N. Vinokurov, L. X. Chen, K. P. C. Vollhardt. X-ray Transient Absorption and Picosecond IR Spectroscopy of Fulvalene(tetracarbonyl) diruthenium on Photoexcitation, Angew. Chem. Int. Ed. 2012, 51, 7692–7696.

J. V. Lockard, B. W. Cohen, S. Yang, X. Zhang, C. K. Simpson, L. X. Chen, M. D. Hopkins. Ground-State and Excited-State Structures of Tungsten−Benzylidyne Complexes, Benjamin M. Lovaasen, Inorg. Chem. 2012, 51, 5660 – 5670.

N. A. Gothard, M. W. Mara, J. Huang, J. M. Szarko, B. Rolczynski, L. X. Chen. Strong Steric Hindrance Effect on Excited State Structural Dynamics of Cu(I) Diimine Complexes, J. Phys. Chem. A. 2012, 116 , 1984–1992.


T. I. Smirnova, T. G. Chadwick, V. A. Bankaitis, G. Schaaf, O. G. Poluektov, A. I. Smirnov. Role of Electrostatic and Hydrogen Bonding Environment in Sequestering Lipids from Membranes Into the Sec14 Protein Cavity, Biophysical Journal, 2011, 100, 552-553.

T. J. Savenije, A. Sperlich, H. Kraus, O. Poluektov, M. Heeney, V. Dyakonov. Observation of bi-polarons in blends of conjugated copolymers and fullerene derivatives, Phys. Chem. Chem. Phys., 2011, 13, 16579-16584.

N. Dimitrijevic, B. Vijayan, O. Poluektov, T. Rajh, K. A. Gray, H. He, P. Zapol. Role of Water and Carbonates in Photocatalytic Transformation of CO2 to CH4 on Titania, J. Am. Chem. Soc., 2011, 133, 3964-3971.

I. Kim, S. L. Bender, J. Hranisavljevic, L. M. Utschig, L. Huang, G. P. Wiederrecht, and D.M. Tiede. Metal Nanoparticle Plasmon-Enhanced Light-Harvesting in a Photosystem I Thin Film, Nano Letts. 2011, 11, 3091–3098.

R. E. Blankenship, D. M. Tiede, J. Barber, G. W. Brudvig, G. Fleming, M. Ghirardi, M. R. Gunner, W. Junge, D. M. Kramer, A. Melis, T. A. Moore, C. C. Moser, D. G. Nocera, A. J. Nozik, D. R. Ort, W. W. Parson, R. C. Prince, R. T. Sayre. Comparing Photosynthetic and Photovoltaic Efficiencies and Recognizing the Potential for Improvement, Science 2011 332, 805-809.

L. M. Utschig, S. C. Silver, K. L. Mulfort, D. M. Tiede. Nature-driven photochemistry for catalytic solar hydrogen production: a Photosystem I—transition metal catalyst hybrid, J. Am. Chem. Soc., 2011, 133, 16334-16337. Highlighted in Chemical & Engineering News, 2011, 89(40), 35.

L. M. Utschig, N. M. Dimitrijevic, O. G. Poluektov, S. D. Chemerisov, K. L. Mulfort, D. M. Tiede. Photocatalytic hydrogen production from non-covalent biohybrid Photosystem I / Pt-nanoparticle complexes, J. Phys. Chem. Lett., 2011, 2, 236-241. Highlighted in Chemical & Engineering News, 2011, 89(5), 44-45.

A. M. March, A. B. Stickrath, G. Doumy, E. P. Kanter, B. Krassig, S. H. Southworth, K. Attenkofer, C. A. Kurtz, L. X. Chen, L. Young. Development of high-repetition-rate laser pump/x-ray probe methodologies for synchrotron facilities, Review of Scientific Instrumentation 2011, 82, 073110.

G. Smolentsev, S. E. Canton, J. V. Lockard, V. Sundstrőm and L. X. Chen. Local structure of photoexcited bimetallic complexes refined by quantitative XANES analysis, Journal of Electron Spectroscopy and Related Phenomena, 2011, 184, 125–128.

X. Zhang, G. Smolentsev, J. Guo, K. Attenkofer, C. Kurtz, G. Jennings, J. V. Lockard, A. B. Stickrath, L. X. Chen. Visualizing interfacial charger transfer in dye sensitized nanoparticles using X-ray transient absorption spectroscopy, J. Phys. Chem. Lett. 2011, 2, 628 – 632.


S. Santabarbara, I. Kuprov, O. Poluektov, P. J. Hore, A. Casal, C. A. Russell, S. Purton, M. C.W. Evans. Directionality of electron transfer reactions in Photosystem I of prokaryotes: universality of the bidirectional electron transfer model, J. Phys. Chem. B, 2010, 114, 15158-15171.

P. G. Baranov, N. G. Romanov, O. G. Poluektov, J. Schmidt. Self-Trapped Excitons in Ionic-Covalent Silver-Halide Crystals and Nanostructures: High Frequency EPR, ESE, ENDOR and ODMR Studies, Appl. Magn, Reson., 2010, 39, 453–486.

M. Liedtke, A. Sperlich, H. Kraus, C. Deibel, V. Dyakonov, S. Filipponec, J. Delgado, N. Martín, O. G. Poluektov. Spectroscopic Signatures of Photogenerated Radical Anions in Polymer-[C70]Fullerene Bulk Heterojunctions, ECS Transactions, 2010, 28, 3-10.

O. G. Poluektov, S. Filippone, N. Martín, A. Sperlich, C. Deibel, and V. Dyakonov, “Spin Signatures of Photogenerated Radical Anions in Polymer-[70]Fullerene Bulk-Heterojunctions: High-Frequency Pulsed EPR Spectroscopy”, J. Phys. Chem. B, 2010, 114, 14426–14429.

N. S. Ponomarenko, O. G. Poluektov, E. J. Bylina, J. R. Norris J.R. Electronic structure of the primary electron donor of Blastochloris viridis heterodimer mutants: High-field EPR study” Biochimica et Biophysica Acta, 2010, 1797, 1838-1840.

N. S. Ponomarenko, O. G. Poluektov, E. J. Bylina, J. R. Norris. Electronic structure of the primary electron donor of Blastochloris viridis heterodimer mutants: High-field EPR study” Biochimica et Biophysica Acta, 2010, 1797, 1617–1626.

L. M. Utschig, S. D. Dalosto, M. C. Thurnauer, O. G. Poluektov. The Surface Metal Site in Blc. Viridis Photosynthetic Bacterial Reaction Centers: Cu2+ as a Probe of Structure, Location, and Flexibility, Appl. Magn. Reson., 2010, 38, 1–17.

J. V. Lockard, A. Rachford, X. Wang, G. Smolentsev, X. Zhang, K. Attenkofer, G. Jennings, A. V. Soldatov, A. L. Reinhard, F. Castellano, L. X. Chen. Triplet Excited State Distortions in a Pyrazolate Bridged Platinum Dimer Measured by X-ray Transient Absorption Spectroscopy, J. Phys. Chem. A., 2010, 114, 12780–12787.

L. X. Chen, X. Zhang, E. C. Wasinger, J. V. Lockard, K. Attenkofer, G. Jennings, G. Smolentsev, A. Soldatov. Metalloporphyrin Ligation Mechanisms Revealed by Transient X-ray Absorption Spectroscopy, Chemical Sciences, 2010, 1, 642-650.

J. V. Lockard, S. Kabehie, G. Smolentsev, A. Soldato, J. I. Zink, L. X. Chen. Influence of Ligand Substitution on Excited State Structural Dynamics in Cu(I) bis-phenanthroline Complexes, J. Phys. Chem. B. 2010, 114, 14521–14527.

L. X. Chen, X. Zhang, J. V. Lockard, A. Stickrath, K. Attenkofer, G. Jennings, D.-J. Liu. Taking Molecular Snapshots in Disordered Media with X-ray Transient Absorption Spectroscopy: A Decade and Beyond, Acta Cryst. A 2010, 66, 240–251.

K. L. Mulfort, D. M. Tiede. Supramolecular cobaloxime assemblies for H2 photocatalysis: an initial structure-function analysis, J. Phys. Chem. B, 2010, 114, 14572-14581. (Michael R. Wasielewski Festschrift)

L. M. Utschig, D. M. Tiede, O. G. Poluektov.  Light-induced alteration of low-temperature interprotein electron transfer between photosystem I and flavodoxin. Biochemistry, 2010, 49, 9682-9684.

X.B. Zuo, J.B. Wang, P. Yu, D. Eyler, H. Xu, M.R. Starich, D.M. Tiede, A.E. Simon, W. Kasprzak, C.D. Schwieters, B.A. Shapiro, Y.X. Wang. Solution structure of the cap-independent translational enhancer and ribosome-binding element in the 3 ‘ UTR of turnip crinkle virus, Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 1385-1390.

L.X. Chen, D.M. Tiede, K. Attenkofer, G. Jennings, X. Zhang. Transient Structure Determination During Solar Energy Conversion, Synchrotron Radiation News, 2010, 23, 22-24.


Some of our group’s older publications can be found here and here.