TY - JOUR
T1 - CO2 capture by Li-functionalized silicene
AU - Zhu, Jiajie
AU - Chroneos, Alexander
AU - Schwingenschlögl, Udo
N1 - 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).
PY - 2016/5/18
Y1 - 2016/5/18
N2 - 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
AB - 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
UR - http://hdl.handle.net/10754/621532
UR - http://doi.wiley.com/10.1002/pssr.201600102
UR - http://www.scopus.com/inward/record.url?scp=84971432681&partnerID=8YFLogxK
U2 - 10.1002/pssr.201600102
DO - 10.1002/pssr.201600102
M3 - Article
SN - 1862-6254
VL - 10
SP - 458
EP - 461
JO - physica status solidi (RRL) - Rapid Research Letters
JF - physica status solidi (RRL) - Rapid Research Letters
IS - 6
ER -