First-Principles Calculations of the Pressure Stability and Elasticity of Dense TiO2 Phases Using the B3LYP Hybrid Functional

Published 2014 View Full Article

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Title
First-Principles Calculations of the Pressure Stability and Elasticity of Dense TiO2 Phases Using the B3LYP Hybrid Functional
Authors
Keywords
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Journal
Journal of Physical Chemistry C
Volume 118, Issue 16, Pages 8617-8625
Publisher
American Chemical Society (ACS)
Online
2014-04-08
DOI
10.1021/jp411366q

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