Issue 4, 2016

Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture

Abstract

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.

Graphical abstract: Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture

Supplementary files

Article information

Article type
Paper
Submitted
23 Oct 2015
Accepted
15 Jan 2016
First published
21 Jan 2016
This article is Open Access
Creative Commons BY license

Energy Environ. Sci., 2016,9, 1346-1360

Author version available

Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture

M. T. Dunstan, A. Jain, W. Liu, S. P. Ong, T. Liu, J. Lee, K. A. Persson, S. A. Scott, J. S. Dennis and C. P. Grey, Energy Environ. Sci., 2016, 9, 1346 DOI: 10.1039/C5EE03253A

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