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MoB2 Driven Metallic Behavior and Interfacial Charge Transport Mechanism in MoS2/MoB2 Heterostructure: A
Amreen Bano1, Devendra K Pandey1, Anchit Modi1
1Department of Physics, Barkatullah University, Bhopal, 462026, India.
Scientific Reports
|September 29, 2018
Summary
This study explores molybdenum disulfide (MoS2) and molybdenum diboride (MoB2) heterostructures. The MoB2 layer significantly alters MoS2
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Molybdenum disulfide (MoS2) is a 2D material with tunable electronic properties.
- Heterostructures offer novel ways to engineer material functionalities.
Purpose of the Study:
- To investigate the electronic and interfacial properties of MoS2/MoB2 heterostructures.
- To understand the influence of MoB2 on the electron transport of MoS2.
Main Methods:
- Density functional theory (DFT) calculations.
- Analysis of charge density and atomic orbital interactions.
- Adsorption analysis.
Main Results:
- The MoB2 layer influences the electronic properties of MoS2 via Mo 4d-states.
- Overlapping atomic orbitals of B and S atoms create a metallic interfacial electronic structure.
- Charge transfer occurs at the interface through B-2p and S-3p states.
- Metallic interfacial bonds confirmed by adsorption analysis.
Conclusions:
- The MoS2/MoB2 heterostructure exhibits a metallic nature.
- Low Seebeck coefficient and high electrical conductivity support the metallic state.
- The findings provide insights into designing advanced 2D electronic devices.
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