Defects and Buckling in Two Dimensional Monoatomically Thin Monolayers

Graphene has emerged as one of the most fascinating areas of research in condensed matter and materials science. Apart from graphene, several other 2D analogues like silicene, phosphorene, MXenes, MoS2, germanene have been recently isolated and characterized. One unifying theme among these new materials is that unlike graphene, they are non-planar. The mode and measure of the buckling (puckering) from planarity depends on the local electronic structure. The effects of such ripples are manifold particularly in its local reactivity to halogens and hydrogens along the more ~sp3 atoms. Pseudo Jahn-Teller (PJT) distortions is shown as a central unifying concept that explains the overall structural preferences of these systems. The effect of PJT in bestowing structural diversity and novel electronic and spin phases in 2D-monoatomic layers will be discussed in this lecture.

References:

Soumya Mondal and Ayan Datta, J. Am. Chem. Soc. 2022, 144, 16703; and D. Jose and Ayan Datta, Acc. Chem. Res. 2014, 47, 593.