Investigating the Energetic Ordering of Stable and Metastable TiO2 Polymorphs Using DFT+U and Hybrid Functionals

出版年份 2015 全文链接

标题

Investigating the Energetic Ordering of Stable and Metastable TiO2 Polymorphs Using DFT+U and Hybrid Functionals

作者

关键词

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出版物

Journal of Physical Chemistry C

Volume 119, Issue 36, Pages 21060-21071

出版商

American Chemical Society (ACS)

发表日期

2015-08-13

DOI

10.1021/acs.jpcc.5b05338

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