Table 1
Polyhedral nano-diamond particle vertex (V), edge (E) and face (F) properties.
Shape | V | Vertices | E | Edges | F | Faces | fs{111} | reff∕and |
---|---|---|---|---|---|---|---|---|
T | 4 | 4 isolated CH | 6 | 6 × {111}/{111}, CH2 | 4 | 4 × {111} triangular, CH | 1 | 2.013 |
tT | 12 | ≡ edge CH2 | 18 | 6 × {111}/{111}, CH2 | 8 | 4 × {111} hexagonal, CH | 1 | 1.356 |
12 × {111}/{111}, CH on faces | 4 × {111} triangular, CH | |||||||
O | 6 | 6 isolated CH2 | 12 | 12 × {111}/{111}, CH on faces | 8 | 8 × {111} triangular, CH | 1 | 1.465 |
tO | 24 | ≡ face CH | 36 | 24 × {111}/{100}, CH2 on faces | 14 | 6 × {100} square, CH2 | 1.135 | |
12 × {111}/{111}, CH on faces | 8 × {111} hexagonal, CH | 0.776 | ||||||
cO | 12 | ≡ face CH2 | 24 | 24 × {111}/{100}, CH2 on faces | 14 | 6 × {100} square, CH2 | 1.211 | |
(all cO edges are equivalent) | 8 × {111} triangular, CH | 0.366 | ||||||
tC | 24 | ≡ face CH2 | 36 | 24 × {111}/{100}, CH2 on faces | 14 | 6 × {100} octagonal, CH2 | 1.396 | |
12 × {100}/{100}, CH2 on faces | 8 × {111} triangular, CH | 0.107 | ||||||
C | 8 | 4 CH2 + 4 CH3 | 12 | 12 × {100}/{100}, CH2 on faces | 6 | 6 × {100} square, CH2 | 0 | 1.201 |
Notes. Only {111} and {100} facets are considered in the modelling where fs{111} is the fraction of the particle surface in {111} facets and therefore fs{100} = (1 − fs{111}). The considered regular polyhedral shapes are tetrahedra (T), truncated tetrahedra (tT), octahedra (O), truncated octahedra (tO), cuboctahedra (cO), truncated cubes (tC), and cubes (C). For vertices ‘ ≡ edge(face) CHn ’ indicates that their CHn groups can be considered as forming an integral part of the adjacent edges (faces). The last column gives the ratio of the radius of the circumscribed sphere, reff, with the same volume as a sphere, and (see text fordetails).
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