Two-Dimensional Electronic Materials of the Future: Transition Metal Dichalcogenides
Additional Funding Sources
The project described was supported by the Research Experience for Undergraduates Program Site: Materials for Society at Boise State University under Award No. 1658076.
Presentation Date
7-2018
Abstract
Transition Metal Dichalcogenides (TMDs) are two-dimensional materials of type MX2, where M is a transition metal and X is a chalcogen. TMDs boast a wide range of practical electronic applications. They have potential uses in high-end electronics such as field-effect transistors, flexible electronics, optoelectronics, and energy storage. Our research explores the material properties of lateral heterostructures of form MX2¬-MX2. The ability to mix-and-match various TMDs gives way to the concept of materials-by-design, where devices can be designed to meet very specific requirements for a certain task. While there has been prior research into lateral TMD heterostructures, we have yet to understand how the concentration of each material in the overall system effects the structure and formation energy. We use Density Functional Theory (DFT) calculations to explore the structural stability and formation energies of possible MX2-MX2 combinations. Preliminary results show that there might be a relationship between the molecular weight of a heterostructure and its formation energy. However, a more thorough and proper analysis of the data is needed. Future work involves exploring the relationship between band gap and atomic concentrations of our TMD heterostructures.
Two-Dimensional Electronic Materials of the Future: Transition Metal Dichalcogenides
Transition Metal Dichalcogenides (TMDs) are two-dimensional materials of type MX2, where M is a transition metal and X is a chalcogen. TMDs boast a wide range of practical electronic applications. They have potential uses in high-end electronics such as field-effect transistors, flexible electronics, optoelectronics, and energy storage. Our research explores the material properties of lateral heterostructures of form MX2¬-MX2. The ability to mix-and-match various TMDs gives way to the concept of materials-by-design, where devices can be designed to meet very specific requirements for a certain task. While there has been prior research into lateral TMD heterostructures, we have yet to understand how the concentration of each material in the overall system effects the structure and formation energy. We use Density Functional Theory (DFT) calculations to explore the structural stability and formation energies of possible MX2-MX2 combinations. Preliminary results show that there might be a relationship between the molecular weight of a heterostructure and its formation energy. However, a more thorough and proper analysis of the data is needed. Future work involves exploring the relationship between band gap and atomic concentrations of our TMD heterostructures.
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