2008 DOE Theory Focus Session on Hydrogen Storage Materials

The U.S. Department of Energy, through the Office of Science (Basic Energy Sciences) and the Office of Energy Efficiency and Renewable Energy (Fuel Cell Technologies) held a second Theory Focus Session on Hydrogen Storage Materials on March 24, 2008 in San Francisco, California, in conjunction with the 2008 Spring Materials Research Society Meeting. The meeting provided an opportunity for experts in the field to present and discuss the current state of the art, technical progress, and key barriers in theory/modeling approaches related to hydrogen storage materials.

The following documents are available as Adobe Acrobat PDFs. Download Adobe Reader.



  • Cutting Edge Methodologies: Beyond Current DFT, Shengbai Zhang, RPI (PDF 698 KB)
  • Effects of point defects and impurities on kinetics in NaAlH4, Chris G. Van de Walle, UC-Santa Barbara (PDF 503 KB)
  • Thermodynamic guidelines for the prediction of hydrogen storage reactions and their application to destabilized hydride mixtures, Don Siegel, Ford Motor Company (PDF 2.6 MB)
  • Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4, Mei-Yin Chou, Georgia Institute of Technology (PDF 877 KB)

Summary Report

  • 2008 Theory Focus Session Summary Report (PDF 168 KB)