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Beilstein J. Nanotechnol. 2014, 5, 121–132, doi:10.3762/bjnano.5.12
Figure 1: a) The 9 × 9 graphene computational unit cell. Cropped relaxed structures of the b) reconstructed s...
Figure 2: Cropped relaxed structures of functionalized graphene. The a) hydrogen (–H), b) dihydrogen (2 –H), ...
Figure 3: Cropped relaxed saturated single vacancy structures. The single vacancy saturated by a) hydrogen (S...
Figure 4: The calculated line shapes, in which peaks with shifts smaller than 0.3 eV from the system bulk val...