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The optimized atomic structure of Sc atom decorated PG. (a) single Sc atom decorated PG; (b) two Sc atoms decorated single-sided PG; (c) two Sc atoms decorated double-sided PG at the same hole; (d) two Sc atoms decorated double-sided PG at the adjacent hole. The gray, white and pink balls in this and following figures denote C, H and Sc atoms, respectively.
