Subproject C01
Table of contents
2nd Funding Period
Influence of Point and Line Defects on Optoelectronic and Magnetic Properties of 2D Materials: Insights from First-Principles Calculations
The project will focus on the relationship between defect concentration and strain in 2DMs, develop a strategy for post-synthesis introduction of impurities into inorganic 2DMs, gain control over the opto-electronic and magnetic properties of 2DMs by introducing defects and impurities, and study the role of defects upon intercalation and de-intercalation of alkali metal and other ion/atoms into bilayer and multilayer 2DMs and their HSs.
1st Funding Period
Defects and Impurities in 2D Chalcogenides
This project will investigate the properties of 2DMs with point and line defects and study production of defects under electron beam during the characterization of 2DMs using transission electron microscopy (TEM) in order to differentiate native defects from beam-induced artefacts. In addition, effects of mechanical strain on defect behaviour and the role of the interfaces between different materials in 2D lateral heterostructures will be elucidate. To provide fundamental microscopic insights into the role of defects multiscale atomistic simulations combining analytical potential molecular dynamics (MD) with density functional theory (DFT) and advanced post-DFT approaches are carried out.
Principal investigator
Dr. Arkady Krasheninnikov