Design of Improved Metal-Organic Framework (MOF) H2 Adsorbents

We attempted synthesis of the hydrogen adsorption material suitable for the fuel cell vehicles (FCEVs). The designed and synthesized Cu2(3,5-Pyridinedicarboxylate)2 (=Cu2PDC2) metal complex showed an extremely high volumetric uptake density for a physisorption material, even though the specific surface area was only about 1,000 m2 g−1. Factors for high uptake properties are considered to be the increased adsorption sites per unit area, the increased adsorption energy, and the optimized design of pore shapes. High hydrogen uptake on volumetric basis is especially effective for FCEV because the tank volume is reduced. It is expected that property prediction using computational simulation and sophisticated analysis at the micro and nano levels will become an indispensable tool in the design of functional materials.