The effect of topology in Lewis pair functionalized metal organic frameworks on CO2 adsorption and hydrogenation
Author:
Affiliation:
1. Department of Chemical & Petroleum Engineering
2. University of Pittsburgh
3. Pittsburgh
4. USA
Abstract
We have used density functional theory and classical grand canonical Monte Carlo simulations to identify two functionalized metal organic frameworks (MOFs) that have the potential to be used for both CO2 capture from flue gas and catalytic conversion of CO2 to valuable chemicals.
Funder
National Science Foundation
University of Pittsburgh
Basic Energy Sciences
Publisher
Royal Society of Chemistry (RSC)
Subject
Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CY/C8CY01018H
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