Electron-Beam-Induced Synthesis of Hexagonal 1 H-MoSe₂ from Square β-FeSe Decorated with Mo Adatoms

Two-dimensional (2D) materials have generated interest in the scientific community because of the advanced electronic applications they might offer. Powerful electron beam microscopes have been used not only to evaluate the structures of these materials but also to manipulate them by forming vacancies, nanofragments, and nanowires or joining nanoislands together. In this work, we show that the electron beam in a scanning transmission electron microscope (STEM) can be used in yet another way: to mediate the synthesis of 2D 1 H-MoSe₂ from Mo-decorated 2D β-FeSe and simultaneously image the process on the atomic scale. This is quite remarkable given the different crystal structures of the reactant (square lattice β-FeSe) and the product (hexagonal lattice 1 H-MoSe₂). The feasibility of the transformation was first explored by theoretical calculations that predicted that the reaction is exothermic. Furthermore, a theoretical reaction path to forming a stable 1 H-MoSe₂ nucleation kernel within pure β-FeSe was found, demonstrating that the pertinent energy barriers are smaller than the energy supplied by the STEM electron beam.