Skip to Main Content U.S. Department of Energy
Energy and Environment Directorate
Page 771 of 1046

Staff Accomplishments

Hydrogen Research Graces Cover of Journal of Physical Chemistry, Part B

November 2006
Congratulations to ETD's Pete McGrail, FSD's John Daschbach and Liem Dang, and their co-authors on having their research featured on the September 7, 2006, cover of the Journal of Physical Chemistry, Part B. Their article describes the interactions of H2 molecules inside the cavities of a prototypical molecule for storing and safely releasing hydrogen. Developing a better understanding of H2 bonding in these materials at the nano-scale is a critical step towards developing new materials with sufficient H2 storage capacity to be useful for H2-fueled vehicles in the future. In "Molecular Mechanisms of Hydrogen-Loaded beta-Hydroquinone Clathrate," the authors employed molecular dynamics simulation techniques and analyses to show how four hydrogen molecules are loaded inside a beta-hydroquinone clathrate. A clathrate is a chemical compound that has a cage-like structure that can lock up and release hydrogen. Loading multiple hydrogen clusters into the clathrate surprised the researchers as previous work indicated that loading more than one H2 molecule per cage would not be energetically favorable.

Page 771 of 1046

Energy and Environment

Core Research Areas