1. Home
  2. Honda R&D Technical Review Vol.24 N...
  3. Hydrogen Adsorption MOF Design and ...

Technical Review e-Book: Summary

Hydrogen Adsorption MOF Design and Adsorption Characteristics

Article of Honda R&D Technical Review Vol.24 No.2


The project discussed in this paper attempted to design and synthesize a hydrogen-adsorbing material suitable for fuel cell electric vehicles. The newly designed and synthesized Cu2(3,5-pyridinedicarboxylate)2 metal complex displayed an extremely high volumetric uptake density for a physisorption material, despite the fact that its specific surface area was only about 1,000 m2 g−1. It is believed that the realization of an increased number of adsorption sites per unit area and increased adsorption energy, in addition to the optimized design of pore shapes, were major factors in the achieved uptake performance.


(1) Yuan, D., Zhao, D., Sun, D., Zhou, H.: An Isoreticular Series of Metal-Organic Frameworks with Dendritic Hexacarboxylate Ligands and Exceptionally High Gas-Uptake Capacity, Angew. Chem. Int. Ed., 49, p. 5357-5361 (2010)
(2) Rowsell, J. L. C., Yaghi, O. M.: Strategies for Hydrogen Storage in Metal-Organic Frameworks, Angew. Chem. Int. Ed., 44, p. 4670-4679 (2005)
(3) Eddaoudi, M., Kim, J., Rosi, N., Vodak, D., Wachter, J., O’Keeffe, M., Yaghi, O. M.: Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage, Science, 295, p. 469-472 (2002) and Supporting Information
(4) Kanoya, I., Furuta, T., Sakamoto, R., Hosoe, M., Ichikawa, M., Itoh, K., Fukunaga, T.: Anomalous Aggregation State of Deuterium Molecules in the Nanoscale Pores of a Metal Organic Framework, J. Appl. Phys., 108, p. 074310 (2010)
(5) Kohn, W., Sham, L. J.: Self-Consistent Equations Including Exchange and Correlation Effects, Phys. Rev., 140, p. A1133-A1138 (1965)
(6) The calculation has been performed using the ab-initio total-energy and molecular dynamics program VASP (Vienna ab-inito simulation program) developed at the Institut fur Material-physik of the Universitat Wien.
(7) Rowsell, J. L. C., Millward, A. R., Park, K. S., Yaghi, O. M.: Hydrogen Sorption in Functionalized Metal-Organic Frameworks, J. Am. Chem. Soc., 126, p. 5666-5667 (2004)
(8) Rowsell, J. L. C., Yaghi, O. M.: Effects of Functionalization, Catenation, and Variation of the Metal Oxide and Organic Linking Units on the Low-Pressure Hydrogen Adsorption Properties of Metal-Organic Frameworks, J. Am. Chem. Soc., 128, p. 1304-1315 (2006)
(9) Ferey, G., Mellot-Draznieks, C., Serre, C., Millange, F., Dutour, J., Surble, S., Margiolaki, I.: A Chromium Terephthalate-Based Solid with Unusually Large Pore Volumes and Surface Area, Science, 309, p. 2040-2042 (2005)
(10) Ma, S., Sun, D., Ambrogio, M., Fillinger, J. A., Parkin, S., Zhou, H.-C.: Framework-Catenation Isomerism in Metal-Organic Frameworks and Its Impact on Hydrogen Uptake, J. Am. Chem. Soc., 129, p. 1858-1859 (2007)
(11) Horvath, G., Kawazoe, K.: Method for the Calculation of Effective Pore Size Distribution in Molecular Sieve Carbon, J. Chem. Eng. Jpn., 16, p. 470-475 (1983)
(12) Dombrowski, R.J., Lastoskie, C.M., Hyduke, D.R.: The Horvath-Kawazoe Method Revisited, Colloids Surf., 187-188, p. 23-39 (2001)
(13) Furuta, T., Kanoya, I., Sakai, H., Hosoe, M.: Design of Improved Metal-Organic Framework (MOF) H2 Adsorbents, Polymers, 3, p. 2133-2141 (2011) and Supporting Information
(14) URL: http://www.spring8.or.jp/
(15) Kato, M., Jonassen, H. B., Fanning, J. C.: COPPER(II) COMPLEXES WITH SUBNORMAL MAGNETIC MOMENTS, Chem. Rev., 64, p. 99-128 (1964)
(16) Dupont, L., Guillon, E., Bouanda, J., Dumonceau, J., Aplincourt, M.: SPECTROSCOPIC STUDY OF COPPER (II)-WHEAT STRAW CELL WALL RESIDUE SURFACE COMPLEX, Environ. Sci. Technol., 36, p. 5062-5066 (2002)
(17) Mori, W., Matsunaga, S.: Discovery and Development of Porous Metal Carboxylatess, Science Journal of Kanagawa University, 20 (2), p. 271-274 (2009)
(18) Kresse, G., Furthmuller, J.: Efficient Iterative Schemes for ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set, Phys. Rev. B, 54, p. 11169-11186 (1996)
(19) Kresse, G., Joubert, D.: From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method, Phys. Rev. B, 59, p. 1758-1775 (1999)

Author (organization or company)

Terumi FURUTA(Fundamental Technology Research Center)、Mitsuya HOSOE(Fundamental Technology Research Center)、Izuru KANOYA(Fundamental Technology Research Center)、Hiroshi SAKAI(Fundamental Technology Research Center)

We would like to get your opinion on this research paper. (This is only applicable to registered members.)

The readers of this research paper have also selected these research papers.

Control Method to Reduce Degradation in Fuel Cell System at Start-up
Article of Honda R&D Technical Review Vol.24 No.2
Development of Multi-scale Simulation Methods for Polymer Electrolyte Membrane Fuel Cell
Article of Honda R&D Technical Review Vol.24 No.1
Development of in-situ X-ray Imaging Technologies for Measuring Water Distribution in Generating PEFC
Article of Honda R&D Technical Review Vol.23 No.1