Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture
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Authors
Abstract
A combined computational and experimental methodology is developed to predict new materials that should have desirable properties for CCS looping, and then select promising candidates to experimentally validate these predictions.
Description
Keywords
40 Engineering, 4016 Materials Engineering, 34 Chemical Sciences, 13 Climate Action, 7 Affordable and Clean Energy
Journal Title
Energy and Environmental Science
Conference Name
Journal ISSN
1754-5692
1754-5706
1754-5706
Volume Title
Publisher
Royal Society of Chemistry (RSC)
Publisher DOI
Sponsorship
Engineering and Physical Sciences Research Council (EP/K030132/1)
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.