Publications

Below is a list of select publications from CCI members.
2017 | 2016 | 2015

2017
  • Nandi, S.; Collins, S. P.; Chakraborty, D.; Banerjee, D.; Thallapally, P. K.; Woo, T. K.; Vaidhyanathan, R. Ultra-low parasitic energy for post-combustion CO2 capture realized in a nickel isonicotinate MOF with excellent moisture stability. J. Am. Chem. Soc. 2017.
    DOI: 10.1021/jacs.6b10455.
  • Collins, S. P.; Woo, T. K. Split-Charge Equilibration Parameters for Generating Rapid Partial Atomic Charges in Metal–Organic Frameworks and Porous Polymer Networks for High-Throughput Screening. J. Phys. Chem. C 2017, 121 (1), 903–910.
    DOI: 10.1021/acs.jpcc.6b10804.
2016
  • Collins, S. P.; Daff, T. D.; Piotrkowski, S. S.; Woo, T. K. Materials design by evolutionary optimization of functional groups in metal-organic frameworks. Sci. Adv. 2016, 2 (11), E1600954–E1600954.
    DOI: 10.1126/sciadv.1600954.
  • Gelfand, B. S.; Huynh, R. P. S.; Mah, R. K.; Shimizu, G. K. H. Mediating Order and Modulating Porosity by Controlled Hydrolysis in a Phosphonate Monoester Metal-Organic Framework. Angew. Chem., Int. Ed. 2016, 55 (47), 14614–14617.
    DOI: 10.1002/anie.201607745.
  • Soleimanisalim, A. H.; Sedghkerdar, M. H.; Karami, D.; Mahinpey, N. The effects of refractory zirconium-based ceramic dopants on the stability performance of synthetic Ca-based sorbents prepared by co-precipitation method in cyclic CO2 capture operations. J. Nat. Gas Sci. Eng. 2016, 36, 1056–1061.
    DOI: 10.1016/j.jngse.2016.09.010.
  • Sedghkerdar, M. H.; Mahinpey, N.; Soleimanisalim, A. H.; Sun, Z.; Chen, Z.; Lim, J.; Kaliaguine, S. Core-shell structured CaO-based pellets protected by mesoporous ceramics shells for high-temperature CO2 capture. Can. J. Chem. Eng. 2016, 94 (11), 2038–2044.
    DOI: 10.1002/cjce.22626.
  • Duhoux, B.; Mehrani, P.; Lu, D. Y.; Symonds, R. T.; Anthony, E. J.; Macchi, A. Combined Calcium Looping and Chemical Looping Combustion for Post-Combustion Carbon Dioxide Capture: Process Simulation and Sensitivity Analysis. Energy Technol. 2016, 4 (10), 1158–1170.
    DOI: 10.1002/ente.201600024.
  • Mullangi, D.; Dhavale, V.; Shalini, S.; Nandi, S.; Collins, S.; Woo, T.; Kurungot, S.; Vaidhyanathan, R. Low-Overpotential Electrocatalytic Water Splitting with Noble-Metal-Free Nanoparticles Supported in a sp 3 N-Rich Flexible COF. Adv. Energy Mater. 2016, 6 (13), 1600110.
    DOI: 10.1002/aenm.201600110.
  • Holmberg, R. J.; Burns, T.; Greer, S. M.; Kobera, L.; Stoian, S. A.; Korobkov, I.; Hill, S.; Bryce, D. L.; Woo, T. K.; Murugesu, M. Intercalation of Coordinatively Unsaturated FeIII Ion within Interpenetrated Metal-Organic Framework MOF-5. Chem. – A Eur. J. 2016, 22 (23), 7711–7715.
    DOI: 10.1002/chem.201600566.
  • Mahinpey, N.; Sedghkerdar, M. H.; Aqsha, A.; Soleimanisalim, A. H. CO2 Capture Performance of Core/Shell CaO-Based Sorbent Using Mesostructured Silica and Titania in a Multicycle CO2 Capture Process. Ind. Eng. Chem. Res. 2016, 55 (16), 4532–4538.
    DOI: 10.1021/acs.iecr.6b00469.
  • Wang, Z.; Gelfand, B. S.; Baumgartner, T. Dithienophosphole-Based Phosphinamides with Intriguing Self-Assembly Behavior. Angew. Chem., Int. Ed. 2016, 55 (10), 3481–3485.
    DOI: 10.1002/anie.201511171.
  • Daff, T. D.; Collins, S. P.; Dureckova, H.; Perim, E.; Skaf, M. S.; Galvão, D. S.; Woo, T. K. Evaluation of carbon nanoscroll materials for post-combustion CO2 capture. Carbon 2016, 101, 218–225.
    DOI: 10.1016/j.carbon.2016.01.072.
  • Dureckova, H.; Woo, T. K.; Alavi, S. Molecular simulations and density functional theory calculations of bromine in clathrate hydrate phases. J. Chem. Phys. 2016, 144 (4), 44501.
    DOI: 10.1063/1.4940321.
  • Komatsu, T.; Taylor, J. M.; Kitagawa, H. Design of a Conducting Metal–Organic Framework: Orbital-Level Matching in MIL-140A Derivatives. Inorg. Chem. 2016, 55 (2), 546–548.
    DOI: 10.1021/acs.inorgchem.5b02265.
  • Wang, Z.; Gelfand, B. S.; Dong, P.; Trudel, S.; Baumgartner, T. Tuning the aggregation-induced enhanced emission behavior and self-assembly of phosphole-lipids. J. Mater. Chem. C 2016, 4 (14), 2936–2944.
    DOI: 10.1039/C5TC03311J.
  • Ridha, F. N.; Lu, D. Y.; Symonds, R. T.; Champagne, S. Attrition of CaO-based pellets in a 0.1MWth dual fluidized bed pilot plant for post-combustion CO2 capture. Powder Technol. 2016, 291, 60–65.
    DOI: 10.1016/j.powtec.2015.11.065.
  • Gelfand, B. S.; Shimizu, G. K. H. Parameterizing and grading hydrolytic stability in metal–organic frameworks. Dalt. Trans. 2016, 45 (9), 3668–3678.
    DOI: 10.1039/C5DT04049C.
  • Kus, F. T.; Duchesne, M. A.; Champagne, S.; Hughes, R. W.; Lu, D. Y.; Macchi, A.; Mehrani, P. Pressurized pneumatic conveying of pulverized fuels for entrained flow gasification. Powder Technol. 2016, 287, 403–411.
    DOI: 10.1016/j.powtec.2015.10.028.
  • Symonds, R. T.; Champagne, S.; Ridha, F. N.; Lu, D. Y. CO2 capture performance of CaO–based pellets in a 0.1MWth pilot-scale calcium looping system. Powder Technol. 2016, 290, 124–131.
    DOI: 10.1016/j.powtec.2015.08.044.
  • Champagne, S.; Lu, D. Y.; Symonds, R. T.; Macchi, A.; Anthony, E. J. The effect of steam addition to the calciner in a calcium looping pilot plant. Powder Technol. 2016, 290, 114–123.
    DOI: 10.1016/j.powtec.2015.07.039.
2015
  • Bao, S.-S.; Li, N.-Z.; Taylor, J. M.; Shen, Y.; Kitagawa, H.; Zheng, L.-M. Co–Ca Phosphonate Showing Humidity-Sensitive Single Crystal to Single Crystal Structural Transformation and Tunable Proton Conduction Properties. Chem. Mater. 2015, 27 (23), 8116–8125.
    DOI: 10.1021/acs.chemmater.5b03897.
  • Taylor, J. M.; Komatsu, T.; Dekura, S.; Otsubo, K.; Takata, M.; Kitagawa, H. The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal–Organic Framework. J. Am. Chem. Soc. 2015, 137 (35), 11498–11506.
    DOI: 10.1021/jacs.5b07267.
  • Ramaswamy, P.; Wong, N. E.; Gelfand, B. S.; Shimizu, G. K. H. A Water Stable Magnesium MOF That Conducts Protons over 10–2 S cm–1. J. Am. Chem. Soc. 2015, 137 (24), 7640–7643.
    DOI: 10.1021/jacs.5b04399.
  • Taylor, J. M.; Dekura, S.; Ikeda, R.; Kitagawa, H. Defect Control To Enhance Proton Conductivity in a Metal–Organic Framework. Chem. Mater. 2015, 27 (7), 2286–2289.
    DOI: 10.1021/acs.chemmater.5b00665.
  • Dureckova, H.; Woo, T. K.; Alavi, S.; Ripmeester, J. A. Molecular dynamics simulation of halogen bonding in Cl2 , BrCl, and mixed Cl2/Br2 clathrate hydrates. Can. J. Chem. 2015, 93 (8), 864–873.
    DOI: 10.1139/cjc-2014-0593.

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