Investigating the Energetic Ordering of Stable and Metastable TiO 2 Polymorphs Using DFT+ U and Hybrid Functionals
Curnan, Matthew T., Kitchin, John R.Volume:
119
Language:
english
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/acs.jpcc.5b05338
Date:
September, 2015
File:
PDF, 1.56 MB
english, 2015