STM characterization of point defects in few-layer PtSe₂

To enable effective applications of atomically thin transition metal dichalcogenides (TMDs) grown via chemical vapor deposition (CVD), it is essential to characterize and understand the defects within such materials, including atomic point defects and grain boundaries. By using scanning tunneling microscopy/spectroscopy (STM/S), we investigated characteristic point defects in few-layer platinum diselenide (PtSe₂). Combining density functional theory (DFT) calculations, we were able to identify these point defects, such as Pt and Se vacancy defects. The results could be potentially important for electronic, spintronic, optical and catalytic applications of two-dimensional PtSe₂ and other TMDs.