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Journal of Nanomaterials
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Journal of Nanomaterials
/
2018
/
Article
/
Tab 1
/
Research Article
Evolution Mechanism of Metallic Dioxide MO
2
(M = Mn, Ti) from Nanorods to Bulk Crystal: First-Principles Research
Table 1
Predicted PBE +
,
experimental and theoretical lattice parameters for
α
-MnO
2
.
TiO
2
(Å)
(Å)
(Å)
This work
9.922
9.922
2.904
Ref. [
17
]
9.907
9.907
2.927
Exp. [
20
]
9.750
9.750
2.861