CO2 capture by Li-functionalized silicene

Jiajie Zhu, Alexander Chroneos, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


CO2 capture and storage technology is of key importance to reduce the greenhouse effect. By its large surface area and sp3 hybridization, Li-functionalized silicene is demonstrated to be a promising CO2 absorbent that is stable up to at least 500 K and has a very high storage capacity of 28.6 mol/kg (55.7 wt%). The adsorption energy of CO2 on Li-functionalized silicene is enhanced as compared to pristine silicene, to attain an almost ideal value that still facilitates easy release. In addition, the band gap is found to change sensitively with the CO2 coverage. (© 2016 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Original languageEnglish (US)
Pages (from-to)458-461
Number of pages4
Journalphysica status solidi (RRL) - Rapid Research Letters
Issue number6
StatePublished - May 18 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).


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