Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2016-05-18Online Publication Date
2016-05-18Print Publication Date
2016-06Permanent link to this record
http://hdl.handle.net/10754/621532
Metadata
Show full item recordAbstract
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, WeinheimCitation
Zhu J, Chroneos A, Schwingenschlögl U (2016) CO2capture by Li-functionalized silicene. physica status solidi (RRL) - Rapid Research Letters 10: 458–461. Available: http://dx.doi.org/10.1002/pssr.201600102.Sponsors
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).Publisher
Wileyae974a485f413a2113503eed53cd6c53
10.1002/pssr.201600102