In addition to Grossman, the work was carried out by Yosuke Kanai of Lawrence Livermore National Laboratory, Varadharajan Srinivasan of MIT's Department of Materials Science and Engineering, and Steven Meier and Peter Vollhardt of the University of California, Berkeley.
The problem of ruthenium's rarity and cost still remains as "a dealbreaker," Grossman said, but now that the fundamental mechanism of how the molecule works is understood, it should be easier to find other materials that exhibit the same behavior. This molecule "is the wrong material, but it shows it can be done," he said.
The next step, he said, is to use a combination of simulation, chemical intuition, and databases of tens of millions of known molecules to look for other candidates that have structural similarities and might exhibit the same behavior. "It's my firm belief that as we understand what makes this material tick, we'll find that there will be other materials" that will work the same way, Grossman said.
Grossman plans to collaborate with Daniel Nocera, the Henry Dreyfus Professor of Energy and Professor of Chemistry, to tackle such questions, applying the principles learned from this analysis in order to design new, inexpensive materials that exhibit this same reversible process. The tight coupling between computational materials design and experimental synthesis and validation, he said, should further accelerate the discovery of promising new candidate solar thermal fuels.
|Contact: Jen Hirsch|
Massachusetts Institute of Technology