Supplemental Material to Electronic Structures and Optical Properties of Partially and Fully Fluorinated Graphene
نویسندگان
چکیده
Shengjun Yuan, ∗ Malte Rösner, 3 Alexander Schulz, 3 Tim O. Wehling, 3 and Mikhail I. Katsnelson Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, 6525AJ Nijmegen, The Netherlands Institut für Theoretische Physik, Universität Bremen, Otto-Hahn-Allee 1, 28359 Bremen, Germany Bremen Center for Computational Materials Science, Universität Bremen, Am Fallturm 1a, 28359 Bremen, Germany
منابع مشابه
Electronic structures and optical properties of partially and fully fluorinated graphene.
In this Letter, we study the electronic structures and optical properties of partially and fully fluorinated graphene by a combination of ab initio G0W0 calculations and large-scale multiorbital tight-binding simulations. We find that, for partially fluorinated graphene, the appearance of paired fluorine atoms is more favorable than unpaired atoms. We also show that different types of structura...
متن کاملElectronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field
Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...
متن کاملThe Electronic and Optical Properties of Pristine, Fluorinated and Chlorinated Pentacene Molecules: An ab-initio Study
In This research the effect of fluorine and chlorine substituents on the electronic and opticalproperties of pentacene molecule have been investigated based on density functional theory as implemented in SIESTA code. The results show thatthe full replacement of hydrogen atoms with fluorine and chlorine in pentacene molecule, leads to ...
متن کاملSimulation of IR Detector at Communication Window of 1550nm based on Graphene
In this paper, photodetection properties of a Graphene-based device at the third telecommunication window have been reported. The structure of the device is a Graphene-silicon Schottky junction which has been simulated in the form of an infrared photodetector. Graphene has specific electrical and optical properties which makes this material a good candidate for optoelectronic applications. Phot...
متن کاملTransmission Properties of the Periodic Structures Based on Graphene Nonlinear Optical Conductivity in a Terahertz Field
By developing the terahertz (THz) technology, in addition to generators and detectors of THz waves, the existence of some tools such as modulators and filters are needed. THz filters are important tools for various applications in the field of chemical and biological sensors. Linear and nonlinear optical properties of the graphene have attracted lots of attention. In fact graphene exhibits vari...
متن کامل