Computational Investigation of Two-Dimensional Insulating Materials for MoS2-based Electronic Nanodevices

David Wang Auditorium, 3rd floor Dalia Maydan Bldg
Liora Teitz

Liora Teitz, M.Sc. Candidate

In the pursuit of improved performance, smaller products and denser designs, the electronics industry has seen a rapid downscaling in size. Many new approaches have been implemented to facilitate this trend. In this aspect, two dimensional (2D) materials, which provide the ultimate thickness limit, have aroused immense interest. If suitable metallic, semiconducting and insulating 2D materials can be identified, devices comprised of all 2D materials could potentially be constructed.

A notable semiconducting candidate among 2D materials is Molybdenum Disulfide (MoS2), which has proven to be a promising candidate for field-effect transistors (FETs), gas sensors, and photocatalysts. However, the mobility in single-layer MoS2 has proven to be highly dependent on its dielectric surroundings. There is a need to identify and characterize 2D insulating materials for potential use in conjunction with MoS2.

In this study, the structure and properties of several 2D materials, as well as their interfaces with MoS2, were determined through Density Functional Theory (DFT) calculations. Several promising 2D materials for use in MoS2-based nanodevices were identified, including hBN, which is the common choice for a 2D dielectric material, as well as novel alternatives such as 2D SiC and BeO.


Asst. Prof. Maytal Caspary Toroker