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. 2022 Feb 10;12(4):597. doi: 10.3390/nano12040597

Figure 3.

Figure 3

Virtual IR absorption (a) and Raman scattering (b) spectra of DTs related to necklaced graphene hydride: the reference (5, 5) graphene domain (I), the latter with one (VI) and 22 (VII) hydrogen atoms in the necklace; the (9, 9) and (11, 11) domains, necklaced with 38 and 46 hydrogen atoms, (IX) and (X), respectively; two-layer (XI) and three-layer (XII) stacks of VII. Digits mark DTs in accordance with Figure 1 and Table 1. UHF AM1 calculations. Two-color plotting is applied to clearly visualize intersected spectral regions.