fig1

Investigation of dual atom doped single-layer MoS<sub>2</sub> for electrochemical reduction of carbon dioxide by first-principle calculations and machine-learning

Figure 1. The geometric structure of MoS2-M2 and MoS2-M1M2. Some of the adjacent metal atoms will form metal-metal bonds (B and D), while others will not (A and C). The dark cyan and yellow balls represent Mo and S atoms, respectively, and the dark blue and purple balls represent the two TM atoms. TM: Transition metal.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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