fig3

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 3. The adsorption geometry and charge density difference of CO2 adsorption over (A) MoS2-NiCr and (B) MoS2-CrCo DACs, with an isosurface level of 0.002 e·Å-3. The green and red regions represent electron depletion and accumulation, respectively. DACs: Dual atom catalysts.

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