Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2016Permanent link to this record
http://hdl.handle.net/10754/617302
Metadata
Show full item recordAbstract
Two-dimensional materials with a tunable band gap that covers a wide range of the solar spectrum hold great promise for sunlight harvesting. For this reason, we investigate the structural, electronic, and optical properties of silicene molecules using time dependent density functional theory. We address the influence of the molecular size, buckling, and charge state as well as that of a dielectric environment. Unlike planar graphene molecules, silicene molecules prefer to form low-buckled structures with strong visible to ultraviolet optical response. We also identify molecular plasmons.Citation
Tunable optical absorption in silicene molecules 2016 J. Mater. Chem. CSponsors
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).Publisher
Royal Society of Chemistry (RSC)Journal
Journal of Materials Chemistry CAdditional Links
http://pubs.rsc.org/en/Content/ArticleLanding/2016/TC/C6TC02186Gae974a485f413a2113503eed53cd6c53
10.1039/C6TC02186G