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Research Abstracts Online
January 2010 - March 2011

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University of Minnesota Twin Cities
College of Science and Engineering
School of Physics and Astronomy

PI: Eric Ganz

Quantum Chemistry Calculations of Hydrogen Storage by Spillover

This project involves accurate quantum chemistry calculations to study hydrogen storage by spillover on high surface area materials such as metal-organic frameworks and covalent-organic frameworks. Spillover works by distributing small metal catalysts in the material to dissociate hydrogen molecules into hydrogen atoms that then spillover and bind onto a large surface area substrate. Recent experimental work has demonstrated exciting reversible storage capacities up to 4 wt% at room temperature and reasonable pressure. To explain these results and for consideration of new materials to achieve increased storage capacities and improved durability, the researcher is studying the binding of hydrogen atoms to metal-organic frameworks, covalent-organic frameworks, and other high surface area materials.