Tag Archives: berend smit

An Inside Look at a MOF in Action

Berkeley Lab Researchers Probe Into Electronic Structure of MOF May Lead to Improved Capturing of Greenhouse Gases

A unique inside look at the electronic structure of a highly touted metal-organic framework (MOF) as it is adsorbing carbon dioxide gas should help in the design of new and improved MOFs for carbon capture and storage. Researchers with the U.S. Department of Energy (DOE)’s Lawrence Berkeley National Laboratory (Berkeley Lab) have recorded the first in situ electronic structure observations of the adsorption of carbon dioxide inside Mg-MOF-74, an open metal site MOF that has emerged as one of the most promising strategies for capturing and storing greenhouse gases. (more…)

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Speeding the Search for Better Carbon Capture

Berkeley Lab Researchers Help Develop a Computer Model That Identifies the Best Molecular Candidates

A computer model that can identify the best molecular candidates for removing carbon dioxide, molecular nitrogen and other greenhouse gases from power plant flues has been developed by researchers with the U.S. Department of Energy (DOE)’s Lawrence Berkeley National Laboratory (Berkeley Lab), the University of California (UC) Berkeley and the University of Minnesota. The model is the first computational method to provide accurate simulations of the interactions between flue gases and a special variety of the gas-capturing molecular systems known as metal-organic frameworks (MOFs). It should greatly accelerate the search for new low-cost and efficient ways to burn coal without exacerbating global climate change.

Berend Smit, an international authority on molecular simulations who holds joint appointments with Berkeley Lab’s Materials Sciences Division and UC Berkeley where he directs Berkeley’s Energy Frontier Research Center, co-led the development of this computational model with Laura Gagliardi, a chemistry professor at the University of Minnesota. (more…)

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