First principles study on electronic and optical properties of Graphene/MoS2 for optoelectronic application
Graphene/MoS2 has been widely used in optoelectronic devices due to its unique optical properties. First principles calculation on the properties of graphene/MoS2 have been performed by using density functional theory (DFT) with a plane wave basis set as implemented in the CASTEP computer code. Elec...
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| Main Authors: | , , , |
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| Format: | Conference or Workshop Item |
| Published: |
2020
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| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/93591/ http://dx.doi.org/10.1109/ICSE49846.2020.9166878 |
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| Institution: | Universiti Teknologi Malaysia |
| Summary: | Graphene/MoS2 has been widely used in optoelectronic devices due to its unique optical properties. First principles calculation on the properties of graphene/MoS2 have been performed by using density functional theory (DFT) with a plane wave basis set as implemented in the CASTEP computer code. Electronic and optical properties were further discussed comprehensively to explain the electron transfer mechanism in atomic structure of graphene/MoS2. The results reveal the opening in graphene's band gap at the k-point of the Brillouin zone when MoS2 layer is introduced in the structure. The excellent absorption characteristic in the visible to ultraviolet region demonstrates the graphene/MoS2 as a promising candidate material for broadband operation wavelength. |
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