TY - JOUR
T1 - Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field, and Strain for Tunable Devices
AU - Deng, Shuo
AU - Li, Lijie
AU - Rees, Paul
N1 - Funding Information:
Authors are grateful for funding by the China Scholarship Council (CSC). The authors acknowledge the European Regional Development Fund (ERDF) for the funding of the Solar Photovoltaic Academic Research Consortium (SPARC II) which supported this research.
Publisher Copyright:
© 2019 American Chemical Society.
Copyright:
Copyright 2019 Elsevier B.V., All rights reserved.
PY - 2019/6/28
Y1 - 2019/6/28
N2 - Graphene has shown great promise in many electronic devices and systems since it was discovered. However, doping control limits its use in devices. For addressing this problem, graphene/MoXY (X/Y = S, Se, Te and X ν Y) heterostructures have been investigated in this work. We analyze electronic and optical properties of the graphene/MoXY heterostructures under various effects such as interlayer distance, external electric field, and mechanical strain by the first-principles method. We find that interlayer distance and external electric field are two prominent parameters to induce tunable homogeneous doping of graphene (G). Compared with interlayer distance modulation, the tuning range of the carrier density in the graphene layer by the external electric field is wider. In the graphene/MoXY heterostructures, the highest carrier density of graphene is simulated to be 4.62 × 1013/cm2 for the G/TeMoS stacking under the electric field strength of 1.0 V/Å. The doping concentration of the graphene layer can be tuned from 3.94 × 1013/cm2 (hole) to 2.00 × 1013/cm2 (electron) subject to the external electric fields of -1.0 and 1.0 V/Å for the G/SMoTe type. In addition, the optical absorption coefficient of the heterostructure graphene/MoSSe is higher than 105/cm in the wavelength range from 550 to 800 nm. The results indicate that these graphene/MoXY heterostructures will have great applications in tunable nanoelectronic devices.
AB - Graphene has shown great promise in many electronic devices and systems since it was discovered. However, doping control limits its use in devices. For addressing this problem, graphene/MoXY (X/Y = S, Se, Te and X ν Y) heterostructures have been investigated in this work. We analyze electronic and optical properties of the graphene/MoXY heterostructures under various effects such as interlayer distance, external electric field, and mechanical strain by the first-principles method. We find that interlayer distance and external electric field are two prominent parameters to induce tunable homogeneous doping of graphene (G). Compared with interlayer distance modulation, the tuning range of the carrier density in the graphene layer by the external electric field is wider. In the graphene/MoXY heterostructures, the highest carrier density of graphene is simulated to be 4.62 × 1013/cm2 for the G/TeMoS stacking under the electric field strength of 1.0 V/Å. The doping concentration of the graphene layer can be tuned from 3.94 × 1013/cm2 (hole) to 2.00 × 1013/cm2 (electron) subject to the external electric fields of -1.0 and 1.0 V/Å for the G/SMoTe type. In addition, the optical absorption coefficient of the heterostructure graphene/MoSSe is higher than 105/cm in the wavelength range from 550 to 800 nm. The results indicate that these graphene/MoXY heterostructures will have great applications in tunable nanoelectronic devices.
KW - electronic property
KW - external electric field
KW - graphene/MoXY heterostructure
KW - interlayer distance
KW - mechanical strain
KW - optical property
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U2 - 10.1021/acsanm.9b00871
DO - 10.1021/acsanm.9b00871
M3 - Article
AN - SCOPUS:85068589461
VL - 2
SP - 3977
EP - 3988
JO - ACS Applied Nano Materials
JF - ACS Applied Nano Materials
SN - 2574-0970
IS - 6
ER -