Now showing items 1-4 of 4

    • Capture of Organic Iodides from Nuclear Waste by Metal-Organic Framework-Based Molecular Traps 

      Li, Baiyan; Dong, Xinglong; Wang, Hao; Ma, Dingxuan; Tan, Kui; Jensen, Stephanie; Deibert, Benjamin J.; Butler, Joseph; Cure, Jeremy; Shi, Zhan; Thonhauser, Timo; Chabal, Yves J.; Han, Yu; Li, Jing
      Effective capture of radioactive organic iodides from nuclear waste remains a significant challenge due to the drawbacks of current adsorbents such as low uptake capacity, high cost, and non-recyclability. We report here ...
    • Diffusion of Small Molecules in Metal Organic Framework Materials 

      Canepa, Pieremanuele; Nijem, Nour; Chabal, Yves J.; Thonhauser, T.
      Ab initio simulations are combined with in situ infrared spectroscopy to unveil the molecular transport of H-2, CO2, and H2O in the metal organic framework MOF-74-Mg. Our study uncovers-at the atomistic level-the major ...
    • Interaction of Acid Gases SO₂ and NO₂ with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co) 

      Tan, Kui; Zuluaga, Sebastian; Wang, Hao; Canepa, Pieremanuele; Soliman, Karim; Cure, Jeremy; Li, Jing; Thonhauser, Timo; Chabal, Yves J. (Amer Chemical Soc, 2017-05-01)
      In situ infrared spectroscopy and ab initio density functional theory (DFT) calculations are combined to study the interaction of the corrosive gases SO₂ and NO₂ with metal organic frameworks M-MOF-74 (M = Zn, Mg, Ni, Co). ...
    • Topologically Guided Tuning of Zr-MOF Pore Structures for Highly Selective Separation of C6 Alkane Isomers 

      Wang, Hao; Dong, Xinglong; Lin, Junzhong; Teat, Simon J.; Jensen, Stephanie; Cure, Jeremy; Alexandrov, Eugeny V.; Xia, Qibin; Tan, Kui; Wang, Qining; Olson, David H.; Proserpio, Davide M.; Chabal, Yves J.; Thonhauser, Timo; Sun, Junliang; Han, Yu; Li, Jing
      As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series ...