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Figure 1

From: Magnetic MoS2 pizzas and sandwiches with Mnn (n = 1–4) cluster toppings and fillings: A first-principles investigation

Figure 1

Optimized geometric structures.

(a) The Mnn (n = 1–4) clusters, (b) the Mnn clusters adsorbed on monolayer and (c) bilayer MoS2 from the top view (up) and the side view (below). The blue, yellow and purple spheres represent the Mo, S and Mn atoms, respectively. Possible adsorption sites are labelled in numbers in (b,c). The dash-dot ball and line refer to metastable positional alignments of the Mnn clusters adsorbed on the MoS2 host upon geometry optimization.

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