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Investigating the Energetic Ordering of Stable and Metastable TiO
<sub/>2</sub>
Polymorphs Using DFT+
<i>U</i>
and Hybrid Functionals

Investigating the Energetic Ordering of Stable and Metastable TiO ₂ Polymorphs Using DFT+ U and Hybrid Functionals

Curnan, Matthew T.; Kitchin, John R.

期刊名称The Journal of Physical Chemistry C
作者Curnan, Matthew T.; Kitchin, John R.
卷第119卷
期第36期
印刷ISSN1932-7447
电子ISSN1932-7455
文件大小1597.66KB
发表时间2015-09-10
DOI10.1021/acs.jpcc.5b05338
页码21060-21071

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