Fig. 1: Atomic-scale structure of MoS2 nanoparticle with sulfur vacancies formed on the edges.
From: Site-dependent reactivity of MoS2 nanoparticles in hydrodesulfurization of thiophene
a Atom-resolved STM image recorded at room temperature of a single-layer MoS2 nanoparticle exposed to hydro-reductive conditions (r-MoS2) at 673 K and 10−4 mbar of H2. The red arrows indicate the position of individual sulfur vacancies (VS) which in this case include 3 VS on A position and 1 VS on an M position. STM parameters: Vt = −0.32 V, It = −0.42 nA. Scale bar is 1 nm. The STM image in a of r-MoS2 is adapted from ref. 50 (reprinted with permission). b Left part: Top-view ball model of the r-MoS2 particle in (a) (S: yellow, Mo: blue). The truncated MoS2 crystal is bounded by three short S-edges and three longer Mo-edges with a nominal 50% S-coverage consisting of S-monomers at a bridge position between Mo atoms, as in ref. 50. Sulfur vacancies are indicated by a red arrow. c Side-view ball model of the Mo-edge with a nominal coverage of 50% for three different edge lengths (4, 5, and 6 monomers, respectively). The overlaid notations for edge site locations are (C) corner, (A) adjacent to corner and (M) middle positions, respectively.
