TY - JOUR
T1 - Tunable optical absorption in silicene molecules
AU - Mokkath, Junais Habeeb
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
Y1 - 2016
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/617302
UR - http://pubs.rsc.org/en/Content/ArticleLanding/2016/TC/C6TC02186G
UR - http://www.scopus.com/inward/record.url?scp=84981210523&partnerID=8YFLogxK
U2 - 10.1039/C6TC02186G
DO - 10.1039/C6TC02186G
M3 - Article
SN - 2050-7526
VL - 4
SP - 7387
EP - 7390
JO - J. Mater. Chem. C
JF - J. Mater. Chem. C
IS - 31
ER -