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

Dunstan, Matthew T.; Jain, Anubhav; Liu, Wen; Ong, Shyue Ping; Liu, Tao; Lee, Jeongjae; Persson, Kristin A.; Scott, Stuart A.; Dennis, John S.; Grey, Clare P.

doi:10.1039/c5ee03253a

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

Journal Article · Thu Jan 21 00:00:00 EST 2016 · Energy & Environmental Science

DOI:https://doi.org/10.1039/c5ee03253a· OSTI ID:1474929

Dunstan, Matthew T. ^[1]; Jain, Anubhav ^[2]; Liu, Wen ^[3]; Ong, Shyue Ping ^[4]; Liu, Tao ^[1]; Lee, Jeongjae ^[1]; Persson, Kristin A. ^[5]; Scott, Stuart A. ^[6]; Dennis, John S. ^[7]; Grey, Clare P. ^[1]

Univ. of Cambridge (United Kingdom). Dept. of Chemistry
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Technologies Area
Nanyang Technological Univ. (Singapore). Cambridge Centre for Advanced Research and Education in Singapore
Univ. of California, San Diego, CA (United States). Dept. of NanoEngineering
Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
Univ. of Cambridge (United Kingdom). Dept. of Engineering
Univ. of Cambridge (United Kingdom). Dept. of Chemical Engineering and Biotechnology

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. Here, 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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Research Foundation (NRF) (Singapore); Engineering and Physical Sciences Research Council (EPSRC)

Grant/Contract Number:: AC02-05CH11231; EP/K030132/1; EDCBEE

OSTI ID:: 1474929

Journal Information:: Energy & Environmental Science, Vol. 9, Issue 4; Related Information: © 2016 The Royal Society of Chemistry.; ISSN 1754-5692

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 55 works

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