Yearly Publications



  • S. Muhoza, T. Taylor, X. Song, M. Gross, The Impact of Sintering Atmosphere and Temperature on the Phase Evolution of High Surface Area LSCF Prepared by In Situ Carbon Templating, J. Electrochem. Soc. 168, 034519 (2021), DOI: 10.1149/1945-7111/abf062.
  • H. Iqbal, Q. Ai, K. Thorley, H. Chen, I McCulloch, C. Risko, J. Anthony, and O. Jurchescu, Suppressing bias stress degradation in high performance solution processed organic transistors operating in air, Nat. Commun. 12, 2352 (2021), DOI: 10.1038/s41467-021-22683-2.
  • C. Tyznik, J. Lee, J. Sorli, X. Liu, E. Holland, C. Day, J. Anthony, Y. Loo, Z. Vardeny, and O. Jurchescu, Photocurrent in Metal-Halide Perovskite/Organic Semiconductor Heterostructures: Impact of Microstructure on Charge Generation Efficiency, ACS Appl. Mater. Interfaces 13, 10231 (2021), DOI: 10.1021/acsami.0c21992.
  • D. Kaib, S. Biswas, K. Riedl, S. Winter, and R. Valenti, Magnetoelastic coupling and effects of uniaxial strain in RuCl3 from first principles, Phys. Rev. B. 103, L140402 (2021),  DOI: 10.1103/PhysRevB.103.L140402.
  • S. Bachus, D. Kaib, A. Jesche, V. Tsurkan, A. Loidl, S. Winter, A. Tsirlin, R. Valenti, and P. Gegenwart, Angle-dependent thermodynamics of RuCl3, Phys. Rev. B. 103, 054440 (2021), DOI: 10.1103/PhysRevB.103.054440.
  • H. Pandey, T. Barrett, M. Gross, and T. Thonhauser, Adsorption properties of acetylene, ethylene and ethane in UiO-66 with linker defects and NO2 functionalization, Mater. Adv. 2, 426 (2021), DOI: 10.1039/DOMA00722F.
  • K. Tan, H. Pandey, H. Wang, E. Velasco, K. Wang, H. Zhou, J. Li, and T. Thonhauser, Defect Termination in the UiO-66 Family of Metal-Organic Frameworks: The Role of Water and Modulator, J. Am. Chem. Soc. 143, 6328 (2021), DOI: 10.1021/jacs.1c01408.
  • E. Velasco, Y. Osumi, S. Teat, S. Jensen, K. Tan, T. Thonhauser, and J. Li, Fluorescent Detection of Carbon Disulfide by a Highly Emissive and Robust Isoreticular Series of Zr-Based Luminescent Metal Organic Frameworks (LMOFs), Chemistry 3, 327 (2021), DOI: 10.3390/chemistry3010024.
  • A. L. Alvarado-Leanos, D. Cortecchia, G. Folpini, A. R. Srimath Kandada, and A. Petrozza, Optical Gain of Lead Halide Perovskites Measured via the Variable Stripe Length Method: What We Can Learn and How to Avoid Pitfalls, Adv. Opt. Mater. 2001773 (2021), DOI: 10.1002/adom.202001773.


  • M. Tremblay, A. Zeidell, S. Rigin, C. Tyznik, J. Bacsa, Y. Zhang, K. Al Kurdi, O. Jurchescu, T. Timofeeva, S. Barlow, and S. Marder, Structural Diversity in 2,2′-[Naphthalene-1,8:4,5-bis(dicarboximide)-N,N’-diyl]-bis(ethylammonium) Iodoplumbates, Inorg. Chem. 59, 8070 (2020), DOI: 10.1021/acs.inorgchem.0c00165.
  • H. Wang, M. Warren, J. Jagiello, S. Jensen, S. Ghose, K. Tan, L. Yu, T. Emge, T. Thonhauser, and J. Li, Crystallizing Atomic Xenon in a Flexible MOF to Prove and Understand Its Temperature-Dependent Breathing Behavior and Unusual Gas Adsorption Phenomenon, J. Am. Chem. Soc. 142, 20088 (2020), DOI: 10.1021/jacs.0c09475.
  • H. Li, A. R. Srimath Kandada, C. Silva, and E. R. Bittner, Stochastic scattering theory for excitation-induced dephasing: Comparison to Anderson-Kubo lineshape, J. Chem. Phys. 153, 154115 (2020), DOI: 10.1063/5.0026467.
  • A. R. Srimath Kandada, H. Li, F. Thouin, E. R. Bittner, and C. Silva, Stochastic scattering theory for excitation-induced dephasing: Time-dependent nonlinear coherent exciton lineshapes, J. Chem. Phys. 153, 164706 (2020), DOI: 10.1063/5.0026351.
  • S. Jensen, K. Tan, L. Feng, J. Li, H.-C. Zhou, and T. Thonhauser, Porous Ti-MOF-74 Framework as a Strong-Binding Nitric Oxide Scavenger, J. Am. Chem. Soc. 142, 16562 (2020), DOI: 10.1021/jacs.0c02772.
  • D. Chakraborty, K. Berland, and T. Thonhauser, Next-Generation Nonlocal van der Waals Density Functional, J. Chem. Theory Comput. 16, 5893 (2020), DOI: 10.1021/acs.jctc.0c00471.
  • S. Alahakoon, K. Tan, H. Pandey, S. Diwakara, G. McCandless, D. Grinffiel, A. Durand-Silva, T. Thonhauser, and R. Smaldone, 2D-Covalent Organic Frameworks with Interlayer Hydrogen Bonding Oriented through Designed Nonplanarity, J. Am. Chem. Soc. 142, 12987 (2020), DOI: 10.1021/jacs.0c03409.
  • H. Iqbal, E. Holland, J. Anthony, and O. Jurchescu, Real-time monitoring of trap dynamics reveals the electronic states that limit charge transport in crystalline organic semiconductors, Mater. Horiz. 7, 2390 (2020), DOI: 10.1039/DOMH00706D.
  • K. Tan, S. Jensen, H. Wang, L. Feng, K. Wei, H. C. Zhou, J. Li, and T. Thonhauser, Thermally activated adsorption in metal-organic frameworks with a temperature-tunable diffusion barrier layer, Angew. Chem. Int. Ed. 59, 18468  (2020), DOI: 10.1002/anie.202007766.
  • G. Folpini, D. Cortecchia, A. Petrozza, and A. R. Srimath Kandada, The role of a dark exciton reservoir in the luminescence efficiency of two-dimensional tin iodide perovskites, J. Mater. Chem C 10/strong, 10889 (2020), DOI: 10.1039/D0TC01218A.
  • A. M. Zeidell, T. Ren, D. S. Filston, H. F. Iqbal, E. Holland, J. D. Bourland, J. E. Anthony, and O. D. Jurchescu, Organic Field-Effect Transistors as Flexible, Tissue Equivalent Radiation Dosimeters in Medical Applications, Adv. Sci. 7, 2001522 (2020), DOI: 10.1002/advs.202001522.
  • T. D. Anthopoulos, Y. Y. Noh, and O.D. Jurchescu, Emerging Thin-Film Transistor Technologies and Applications, Adv. Funct. Mater. 30, 2001678 (2020), DOI: 10.1002/adfm.202001678.
  • M. Waldrip, O. Jurchescu, D. Gundlach,  and Bittle, E, Contact Resistance in Organic Field-Effect Transistors: Conquering the Barrier, Adv. Funct. Mater. 30, 1904576 (2020), DOI: 10.1002/adfm.201904576.
  • M. Welker, Synthesis of sulfur and silicon SAM precursors for molecular electronics applications, Phosphorus, Sulfur Silicon Relat. Elem. 195, 75 (2020), DOI: 10.1080/10426507.2019.1653871.
  • R. Williams, W. Wolszczak, X. Yan, and D. Carroll, Perovskite Quantum-Dot-in-Host for Detection of Ionizing Radiation, ACS Nano 14, 5161 (2020), DOI: 10.1021/acsnano.0c02529.
  • L. Yu, X. Dong, Q. Gong, S.R. Acharya, Y. Lin, H. Wang, Y. Han, T. Thonhauser, and J. Li, Splitting Mono- and Dibranched Alkane Isomers by a Robust Aluminium-Based Metal-Organic Framework Material with Optimal Pore Dimensions, J. Am. Chem. Soc. 142, 6925 (2020), DOI: 10.1021/jacs.0c01769.
  • X. Hei, W. Liu, K. Zhu, S.J. Teat, S. Jensen, M. Li, D.M. O’Carroll, K. Wei, K. Tan, M. Cotlet, T. Thonhauser, and J. Li, Blending Ionic and Coordinate Bonds in Hybrid Semiconductor Materials: A General Approach toward Robust and Solution-Processable Covalent/Coordinate Network Structures, J. Am. Chem. Soc. 142, 4242 (2020), DOI: 10.1021/jacs.9b13772.
  • K. Enck, S. Banks, H. Yadav, M.E. Welker, and E.C. Opara, Development of a Novel Oral Delivery Vehicle for Probiotics, Curr. Pharm. Des. 26, (2020), DOI: 10.2174/1381612826666200210111925.
  • S.P. Muhoza, S. Lee, X. Song, B. Guan, T. Yang, and M.D. Gross, Enhancing Activity, Charge Transport, Power Production, and Stability of Commercial Solid Oxide Fuel Cells with Yttria-Stabilized Zirconia Nanoparticles, J. Electrochem. Soc. 167, 024517 (2020), DOI: 10.1149/1945-7111/ab6eed.
  • H.F. Haneef, A.M. Zeidell, and O.D. Jurchescu, Charge carrier traps in organic semiconductors: a review on the underlying physics and impact on electronic devices, J. Mater. Chem. C 8, 759 (2020), DOI: 10.1039/C9TC05695E.


  • R. R. Dasari, X. Wang, R. A.  Wiscons, H. F. Haneef, A. Ashokan, Y. Zhang, M. S. Fonari, S. Barlow, V. Coropceanu, T. V. Timofeeva, O. D. Jurchescu, J.L. Bredas, A. J. Matzger, and S. R.  Marder, Charge-Transport Properties of F 6 TNAP-Based Charge-Transfer Cocrystals, Adv. Funct. Mater. 29, 1904858 (2019), DOI: 10.1002/adfm.201904858.
  • S. Banks, K. Enck, M. Wright, E. C. Opara, and M. Welker, Chemical Modification of Alginate for Controlled Oral Drug Delivery, J. Agric. Food. Chem. 67, 10481 (2019), DOI: 10.1021/acs.jafc.9b01911.
  • S. Anand, K. Goetz, Z. Lamport, A.M. Zeidell, and O.D. Jurchescu, Field-dependent charge transport in organic thin-film transistors: Impact of device structure and organic semiconductor microstructure, Appl. Phys. Lett. 115, 073301 (2019), DOI: 10.1063/1.5099388.
  • S. Jensen, K. Tan, W.P. Lustig, D.S. Kilin, J. Li, Y.J. Chabal, and T. Thonhauser, Structure-Driven Photoluminescence Enhancement in a Zn-Based Metal-Organic Framework, Chem. Mater. 31, 7933 (2019), DOI: 10.1021/acs.chemmater.9b02056.
  • J. Cure, E. Mattson, K. Cocq, H. Assi, S. Jensen, K. Tan, M. Catalano, S. Yuan, H. Wang, L. Feng, P. Zhang, S. Kwon, J.-F. Veyan, Y. Cabrera, G. Zhang, J. Li, M. Kim, H.-C. Zhou, Y.J. Chabal, and T. Thonhauser, High stability of ultra-small and isolated gold nanoparticles in metal-organic framework materials, J. Mater. Chem. A 7, 17536 (2019), DOI: 10.1039/c8ta12334a.
  • K. Berland, D. Chakraborty, and T. Thonhauser, van der Waals density functional with corrected C6 coefficients, Phys. Rev. B 99, 195418 (2019), DOI: 10.1103/PhysRevB.99.195418.
  • K. Tan, S. Jensen, L. Feng, H. Wang, S. Yuan, M. Ferreri, J. P. Klesko, R. Rahman, J. Cure, J. Li, H.-C. Zhou, T. Thonhauser, and Y. J. Chabal, Reactivity of atomic layer deposition precursors with OH/H2O-containing metal organic framework materials, Chem. Mater. 31, 2286 (2019), DOI: 10.1021/acs.chemmater.8b01844.
  • S. Jensen, K. Tan, W. Lustig, D. Kilin, J. Li, Y. J. Chabal, and T. Thonhauser, Quenching of photoluminescence in a Zn-MOF sensor by nitroaromatic molecules, J. Mater. Chem. C 7, 2625 (2019), DOI: 10.1039/C8TC06281A.
  • S. Muhoza, A. McCormack, R. Garrett, M. Yuce, V. Prathab, S. Hambright, M. Cottam, and M. Gross, Processing Nano-YSZ in solid oxide fuel cells: The effect of sintering atmosphere on thermochemical stability, J. Electrochem. Soc. 166, F53 (2019), DOI: 10.1149/2.0261902jes.
  • C. Rubinger, H. Haneef, C. Hewitt, D. Carroll, J. Anthony, and O. Jurchescu, Influence of solvent additives on the morphology and electrical properties of diF-TES ADT organic field-effect transistors, Org. Electron. 68, 205 (2019), DOI: 10.1016/j.orgel.2019.02.021.
  • A. Harper, P. Diemer, and O. Jurchescu, Contact patterning by laser printing for flexible electronics on paper, npj Flex. Electron. 3, 11 (2019), DOI: 10.1038/s41528-019-0055-3.
  • T. Li, A. Zeidell, G. Findik, W. Dunlap-Shohl, J. Euvrard, K. Gundogdu, O. Jurchescu, and D. Mitzi, Phase-pure hybrid layered lead iodide perovskite films based on a two-step melt-processing approach, Chem. Mater. 31, 4267 (2019), DOI: 10.1021/acs.chemmater.9b01265.
  • Z. Lamport, A. Broadnax, B. Scharmann, R. Bradford, III, A. DelaCourt, N. Meyer, H. Li, S. Geyer, T. Thonhauser, M. Welker, and O. Jurchescu, Molecular rectifiers on silicon: High performance by enhancing top-electrode/molecule coupling, ACS Appl. Mater. Interfaces 11, 18564 (2019), DOI: 10.1021/acsami.9b02315.
  • A. Zeidell, L. Jennings, C. Frederickson, Q. Ai, J. Dressler, L. Zakharov, C. Risko, M. Haley, and O. Jurchescu, Organic semiconductors derived from dinaphtho-fused s-Indacenes: How molecular structure and film morphology influence thin-film transistor performance, Chem. Mater. 31, 6962 (2019), DOI: 10.1021/acs.chemmater.9b01436.


  • S.-Y. Zhang, S. Jensen, K. Tan, L. Wojtas, M. Roveto, J. Cure, T. Thonhauser, Y. J. Chabal, and M. J. Zaworotko, Modulation of water vapor sorption by a forth-generation metal-organic material with a rigid framework and self-switching pores, J. Am. Chem. Soc. 140, 12545 (2018), DOI: 10.1021/jacs.8b07290.
  • D. Harrison and T. Thonhauser, Thermodynamics of hydrogen release in complexed borohydrides, Phys. Rev. Mater. 2, 065403 (2018), DOI: 10.1103/PhysRevMaterials.2.065403.
  • E. M. A. Fuentes-Fernandez, S. Jensen, K. Tan, S. Zuluaga, H. Wang, J. Li, T. Thonhauser, and Y. J. Chabal, Controlling chemical reactions in confined environments: Water dissociation in MOF-74, Appl. Sci. 8, 270 (2018), DOI: 10.3390/app8020270.
  • K. Tan, S. Jensen, S. Zuluaga, E. K. Chapman, H. Wang, R. Rahman, J. Cure, T.-H. Kim, J. Li, T. Thonhauser, and Y. J. Chabal, Role of hydrogen bonding on transport of coadsorbed gases in metal-organic frameworks materials, J. Am. Chem. Soc. 140, 856 (2018), DOI: 10.1021/jacs.7b09943.
  • A. Broadnax, Z. Lamport, B. Scharmann, O. Jurchescu, and M. Welker, Ferrocenealkylsilane molecular rectifiers, J. Org. Chem. 856, 23 (2018), DOI: 10.1016/j.jorganchem.2017.12.019.
  • M. Welker, Ferrocenes as building blocks in molecular rectifiers and diodes, Molecules 23, 1551 (2018), DOI: 10.3390/molecules23071551.
  • S. Muhoza, T. Barrett, M. Cottam, S. Soll, M. Yuce, V. Prathab, S. Hambright, M. Rezazad, O. Racchi, and M. Gross, High surface area SOFC electrode materials prepared at traditional sintering temperatures, J. Electrochem. Soc. 165, F46 (2018), DOI: 10.1149/2.0381802jes.
  • F. Dardar, M. Gross, S. Krimi, M. Couzi, A. Lachgar, S. Sebti, and A. Jazouli, Synthesis, structural characterization and ionic conductivity of mixed alkali titanium phosphate glasses, Mediterr. J. Chem. 7, 328 (2018), DOI: 10.13171/mjc751912040810aej.
  • Z. Lamport, H. Haneef, S. Anand, M. Waldrip, and O. Jurchescu, Tutorial: Organic field-effect transistors: Materials, Structure and operation, J. Appl. Phys. 124, 071101 (2018), DOI: 10.1063/1.5042255.
  • Z. Lamport, K. Barth, H. Lee, E. Gann, S. Engmann, H. Chen, M. Guthold, I. McCulloch, J. Anthony, L. Richter, D. Delongchamp, and O. Jurchescu, A simple and robust approach to reducing contact resistance in organic transistors, Nat. Commun. 9, 5130 (2018), DOI: 10.1038/s41467-018-07388-3.
  • A. Zeidell, C. Tyznik, L. Jennings, C. Zhang, H. Lee, M. Guthold, Z. Vardeny, and O. Jurchescu, Enhanced charge transport in hybrid perovskite field-effect transistors via microstructure control, Adv. Electron. Mater. 4, 1800316 (2018), DOI: 10.1002/aelm.201800316.