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 Karl Franzens University Graz

Graz University of Technology 

New applications for molecular framework materials: hydrogen isotope separation and long-range ordering
Prof. Dr. Thomas Heine
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry, University of Leipzig
17:15 - 18:15 Tuesday 30 May 2017 TUG P2

Molecular framework materials such as MOFs and COFs are known for their large surface area and resulting high affinity to adsorb and to separate molecules. Selective adsorption is possibly by geometric control (pore size) and specific interactions. It is less known that those interactions can be exploited up to the quantum level in order to selectively adsorb and filter isotopes. I will present our work on hydrogen isotope separation and tritium capture, which ranges from pore-size controlled sieving in MFU-41 towards exploiting the difference in adsorption zero-point energy to separate H2 and D22,3 and even to capture heavy tritium containing isotopologues of hydrogen molecule from the gas phase.4
In the second part of my talk, I will present consequences of long-range order in MOFs (and probably COFs). I will show that crystal order imposes band dispersion similar to that known in crystalline semiconductors such as silicon or semimetals like graphene. This can be exploited, for example, to create photovoltaic cells.5 This opens new world of rationally designing functional electronic materials based on unconventional lattices and chemical compositions. Another side effect is magnetic ordering that we have observed for a surface-mounted MOF.6

[1] J. Teufel, H. Oh, M. Hirscher, M. Wahiduzzaman, L. Zhechkov, A. Kuc, T. Heine, D. Denysenko, D. Volkmer, Adv. Materials 25 (2013) 635-639.
[2] H. Oh, I. Savchenko, A. Mavrandonakis, T. Heine, M. Hirscher, ACS Nano 8 (2014) 761–770.
[3] I. Savchenko, A. Mavrandonakis, T. Heine, H. Oh, J. Teufel, M. Hirscher, Microporous Mesoporous Mater. 216 (2015) 133-137.
[4] I. Weinrauch, I. Savchenko, D. Denysenko, S. M. Souliou, H. Kim, M. Le Tacon, L. Daemen, Y. Cheng, A. Mavrandonakis, A. Ramirez-Cuesta, D. Volkmer, G. Schütz, M. Hirscher, T. Heine, Nature Commun 8 (2017), 14496
[5] J. Liu, W. Zhou, J. Liu, I. Howard, G. Kilibarda, S. Schlabach, D. Coupry, M. Addicoat, S. Yoneda, Y. Tsutsui, T. Sakurai, S. Seki, Z. Wang, P. Lindemann, E. Redel, T. Heine, C. Wöll, Angew. Chem. Intl. Ed. 54 (2015) 7441–7445.
[6] S. Friedländer, J. Liu, M. Addicoat, P. Petkov, N. Vankova, R. Rüger, A. Kuc, W. Guo, W. Zhou, B. Lukose, Z. Wang, P. G. Weidler, A. Pöppl, M. Ziese, T. Heine, C. Wöll, Angew. Chem. Intl. Ed. 55 (2016) 12683–12687.