KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-05-18
Print Publication Date2016-06
Permanent link to this recordhttp://hdl.handle.net/10754/621532
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AbstractCO2 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
CitationZhu 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.
SponsorsThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).