Figure 2

Optimized geometric structure of dehydrogenated graphane with distribution of H-hexagon vacancies. (a-f) The structures of C98H92 (1-hexagon vacancy), C98H88 (2-hexagon vacancies), C98H85 (1-triangle vacancy), C98H72 (2-triangle vacancies), C98H59 (3-triangle vacancies), and C98H46 (4-triangle vacancies). The gray balls stand for sp³ C atoms saturated with H atoms (white balls), red (blue) balls highlight unsaturated sp² C atoms removing up (down) H atoms