AP19174589 Project Leader: Zhussupbekov K.

AP19174589 Influence of defects on the atomic and electronic properties of platinum-based transition metal dichalcogenides

Project implementation period: 2023 - 2025

Project Leader: Zhussupbekov K.

The aim of this project is to investigate zero-dimensional (0D) and one-dimensional (1D) defects by comprehensive theoretical and experimental approaches including density functional theory (DFT) and scanning tunneling microscopy/spectroscopy (STM/STS). Specifically, this study will be focused on Pt-based transition metal dichalcogenides (TMDs).

In order to achieve the project’s goal, the following objectives have to be completed:

1. Investigate the atomic structure of the Pt-based TMDs via STM with picometer resolution at the temperature of 77 K.

2. Study the electronic properties of the Pt-based TMDs by STS with milli eV resolution at the temperature of 77 K.

3. Resolve point defects (quantum systems) of the Pt-based TMDs at 77 K.

4. Characterise resolved features with the assistance of DFT simulations.

5. Investigate edge states in Pt-based TMDs, perform high-resolution STS measurements on monolayer and multilayer steps to understand the influence of edge-state occurrence.

6. Perform rigorous DFT calculations of the deferent edge terminations to fully understand experimental results.