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. 2021 Feb 22;12:1218. doi: 10.1038/s41467-021-21482-z

Fig. 4. DFT studies.

Fig. 4

a Schematic illustration of oxygen activation on BP nanosheets. b Reaction path for partial oxidation of methane over Au1/BP nanosheets under light irradiation. The inset images show the side views of the configurations. Yellow, violet, pink, red, gray, and white spheres represent Au, surface P, subsurface P, O, C, and H atoms, respectively.