Subproject C01

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 

Participating scientists

Dr. Rico Friedrich

Dr. Francis Davies

B. Sc. Tom Barnowsky

Former academic staff

M. Sc. Atef Iqbal

M. Sc. Thomas Joseph

M. Sc. Sadegh Ghaderzadeh