Journal
CHIMIA
Volume 69, Issue 5, Pages 248-252Publisher
SWISS CHEMICAL SOC
DOI: 10.2533/chimia.2015.248
Keywords
Carbon capture; Materials genome; Methane storage; Metal-organic frameworks (MOF); Nanoporous materials
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In this short review, some recent advances are discussed in the development of computational techniques to perform large-scale screening of materials for energy-related applications. We focus on carbon capture and methane storage in different classes of nanoporous materials. We show how these screening studies can identify whether economic targets for particular processes can be reached.
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