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. 2023 Jul 20;14:4363. doi: 10.1038/s41467-023-39304-9

Fig. 4. Simulated contributions of valence and core electrons to the electron charge density.

Fig. 4

a Atomic structure of an MoS2 supercell. b DFT derived valence electrons and (c) core electrons corresponding to the atomic structure in (a). Probe convolved with (d) valence and (e) core electrons. f Sum of (d) and (e) showing the net electron charge density. All images share the same scalebar with (b).