Research Article
Evolution Mechanism of Metallic Dioxide MO2 (M = Mn, Ti) from Nanorods to Bulk Crystal: First-Principles Research
Figure 1
Simulated several morphologies of Hollandite MnO2 models, where (a) α-MnO2 crystal (Mn8O16), (b) (100) bulk surface (Mn32O64, M(100)), (c) (110) bulk surface (Mn16O32, M(110)), (d) [(100 × 110)] microfacet (Mn32O64, M[(100 × 110)]), (e) nanorod(I) (Mn28O56, MNR(I)), (f) nanorod(II) (Mn68O136, MNR(II)), and (g) nanorod(III) (Mn112O224, MNR(III)).
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