In situ edge engineering in two-dimensional transition metal dichalcogenides.

ABSTRACT: Exerting synthetic control over the edge structure and chemistry of two-dimensional (2D) materials is of critical importance to direct the magnetic, optical, electrical, and catalytic properties for specific applications. Here, we directly image the edge evolution of pores in Mo_1-xW _x Se₂ monolayers via atomic-resolution in situ scanning transmission electron microscopy (STEM) and demonstrate that these edges can be structurally transformed to theoretically predicted metastable atomic configurations by thermal and chemical driving forces. Density functional theory calculations and ab initio molecular dynamics simulations explain the observed thermally induced structural evolution and exceptional stability of the four most commonly observed edges based on ch

SUBMITTER: Sang X 

PROVIDER: S-EPMC5967346 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature