Center for Functional Nanomaterials Seminar

"Computational Studies of Photochemical Activation of N2 and of CO2"

Presented by Patrick Achord, Brookhaven National Laboratory

Tuesday, October 6, 2009, 11:00 am — Bldg. 735 - Conf Rm B

Dinitrogen and carbon dioxide are stable, persistent molecules, and yet may be precursors to more valuable substances. Unfortunately, activation of the former is very endothermic, as evidenced by the Haber-Bosch process, which converts dinitrogen to ammonia at a cost of 2% of the world's energy use. Over the past few decades, knowledge of organometallic chemistry and of photochemistry has matured sufficiently, so that, now, chemists are trying to use sunlight to activate these multiple bonds. This is an overview of theoretical studies of such visible-light chemistry, the results of which have been correlated to recent experimental work. In both cases, success would mean a greener future, with less exhaust and with a lower use of fossil fuels.

Hosted by: Mark Hybertsen

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