Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture
Ong, Shyue Ping
Persson, Kristin A
Energy and Environmental Science
Royal Society of Chemistry
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Dunstan, M., Jain, A., Liu, W., Ong, S. P., Liu, T., Lee, J., Persson, K. A., et al. (2016). Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture. Energy and Environmental Science https://doi.org/10.1039/C5EE03253A
The implementation of large-scale carbon dioxide capture and storage (CCS) is dependent on finding materials that satisfy several different criteria, the most important being minimising the energy load imposed on the power plant to run the process. The most mature CCS technology, amine scrubbing, leads to a loss of 30 % of the electrical work output of the power station without capture, which is far too high for widespread deployment. High-temperature CO2 absorption looping has emerged as a technology that has the potential to deliver much lower energy penalties, but further work is needed to find and develop an optimal material. We have developed a combined computational and experimental methodology to predict new materials that should have desirable properties for CCS looping, and then select promising candidates to experimentally validate these predictions. This work not only has discovered novel materials for use in high-temperature CCS looping, but analysis of the entirety of the screening enables greater insights into new design strategies for future development.
M.T. Dunstan acknowledges funding from the Cambridge Commonwealth Trusts, Trinity College, Cambridge and is a recipient of a STFC Futures Early Career Award. M.T. Dunstan, S.A. Scott, J.S. Dennis and C.P. Grey acknowledge funding from EPSRC Grant No. EP/K030132/1. A. Jain, S.-P. Ong and K. Persson gratefully acknowledge support as well as infrastructure and Materials Project data through the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Project Center Grant No. EDCBEE. W. Liu acknowledges funding from NRF, Singapore under its CREATE programme.
External DOI: https://doi.org/10.1039/C5EE03253A
This record's URL: https://www.repository.cam.ac.uk/handle/1810/253426