MOF for energy appl

8 10 consequences of framework reduction hydrogen

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Unformatted text preview: 0.8 1.0 Consequences of Framework Reduction… Hydrogen Adsorption •Zn2(NDC)2(diPyNI) is reduced upon exposure to Li0 in DMF Li+ •H2 uptake is nearly + Li0 doubled w/5% doping 48 H2 molecules per Li+ ! H2 wt% 1.6 with Li+ 1.2 0.8 no Li+ 0.4 0.0 0.0 0.2 0.4 0.6 P (atm) 0.8 1.0 Consequences of Framework Reduction… Hydrogen Adsorption Li+ •H2 uptake is nearly + Li0 doubled w/5% doping 48 H2 molecules per Li+ ! •Heat of adsorption only very slightly increases H2 wt% 1.6 with Li+ 1.2 0.8 no Li+ 0.4 0.0 0.0 0.2 0.4 0.6 P (atm) 8 0.8 1.0 7 H , kJ / mol ads •Zn2(NDC)2(diPyNI) is reduced upon exposure to Li0 in DMF 6 5 4 3 2 1 1-Li+ 1 0 0 2 4 6 8 N, mg / g 10 12 14 Goal: Enhance H2 uptake via framework reduction and cation doping • Enhanced London dispersion interactions due to enhanced strut polarizability? • Adsorption of polarizable molecules due to electric field enhancement? • Enhanced molecular adsorption due to charge/quadrupole interactions? • Enhanced adsorption due to ion-induced displacement of catenated frameworks Problem: Ions are sited around catenated paddlewheel nodes desired specific cation/H2 interactions are precluded Dalach, Frost, Snurr, Ellis, J. Phys. Chem. C 2008, 112, 9278-9284. Acknowledgments...
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