fig12

Figure 12. (A) Optimized geometry for the surface of Si₂-g-C₆N₆ (black ball: C atom, blue ball: N atom, golden ball: Si atom, and numerical value shows the bond length, Å); (B) HSE03 band structure and (C) Projected density of state for the Si₂-g-C₆N₆ surface. Reprinted with permission from ref^[73]. Copyright 2021 American Chemical Society; (D and E) XANES spectra at Cu K-edge for Cu single atoms confined in graphene sheets (Cu-GS-800, 900 and 1000), compared with Cu^IIO [Cu(II)] and Cu^I₂O [Cu(I)]; (F) Fourier transformed EXAFS at the Cu K-edge for Cu-GS-800, 900 and 1000. Reprinted with permission from ref^[33]. Copyright 2022 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH. XANES: X-ray absorption near edge structure; EXAFS: extended X-ray absorption fine structure.