The effect of shape and size in the stability of triangular Janus MoSSe quantum dots.

ABSTRACT: Asymmetric Janus transition metal dichalcogenide MoSSe is a promising catalytic material due to the intrinsic in-plane dipole of its opposite faces. The atomic description of the structures observed by experimental techniques is relevant to tuning and optimizing its surface reaction processes. Furthermore, the experimentally observed triangular morphologies in MoSSe suggest that an analysis of the chemical environment of its edges is vital to understand its reactivity. Here we analyze the size-shape stability among different triangular structures-quantum- dots proposed from the ideal S(-1010) and Mo(10-10) terminations. Our stability analysis evidenced that the S-Se termination is more stable than Mo; moreover, as the size of the quantum dot increases, its stability increases as well. Besi

SUBMITTER: Paez-Ornelas JI 

PROVIDER: S-EPMC8548305 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature