Large scale computational screening and experimental discovery of novel materials for high temperature CO 2 capture

Large scale computational screening and experimental discovery of novel materials for high temperature CO 2 capture

TitleLarge scale computational screening and experimental discovery of novel materials for high temperature CO 2 capture
Publication TypeJournal Article
Year of Publication2016
AuthorsMatthew T Dunstan, Anubhav Jain, Wen Liu, Shyue Ping Ong, Tao Liu, Jeongjae Lee, Kristin A Persson, Stuart A Scott, John S Dennis, Clare P Grey
JournalEnergy & Environmental Science
Volume9
Issue4
Pagination1346 - 1360
Date Published04/2016
ISSN1754-5692
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.

DOI10.1039/C5EE03253A
Short TitleEnergy Environ. Sci.
Refereed DesignationRefereed