Design of Stratified Functional Nanoporous Materials for CO2 Capture and Conversion
- Univ. of Pittsburgh, PA (United States)
The objective of this project is to develop novel nanoporous materials for CO2 capture and conversion. The motivation of this work is that capture of CO2 from flue gas or the atmosphere coupled with catalytic hydrogenation of CO2 into valuable chemicals and fuels can reduce the net amount of CO2 in the atmosphere while providing liquid transportation fuels and other commodity chemicals. One approach to increasing the economic viability of carbon capture and conversion is to design a single material that can be used for both the capture and catalytic conversion of CO2, because such a material could increase efficiency through process intensification. We have used density functional theory (DFT) methods to design catalytic moieties that can be incorporated into various metal organic framework (MOF) materials. We chose to work with MOFs because they are highly tailorable, can be functionalized, and have been shown to selectively adsorb CO2 over N2, which is a requirement for CO2 capture from flue gas. Moreover, the incorporation of molecular catalytic moieties into MOF, through covalent bonding, produces a heterogeneous catalytic material having activities and selectivities close to those of homogeneous catalysts, but without the draw-backs associated with homogeneous catalysis.
- Research Organization:
- Univ. of Pittsburgh, PA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- DOE Contract Number:
- SC0004484
- OSTI ID:
- 1396051
- Report Number(s):
- DE-FG-02-10ER16165; DE-FG02-10ER16165
- Country of Publication:
- United States
- Language:
- English
Design of Lewis Pair-Functionalized Metal Organic Frameworks for CO 2 Hydrogenation
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journal | March 2015 |
Screening Lewis Pair Moieties for Catalytic Hydrogenation of CO 2 in Functionalized UiO-66
|
journal | September 2015 |
Screening the activity of Lewis pairs for hydrogenation of CO 2
|
journal | March 2017 |
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