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Physical Chemistry Chemical Physics

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First-principles study of relative stability of rutile and anatase TiO2 using the random phase approximation

Zhi-Hao Cui,a   Feng Wua and   Hong Jiang*a  
Corresponding authors
Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Material Chemistry and Application, Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China
E-mail: jianghchem@pku.edu.cn
Phys. Chem. Chem. Phys., 2016,18, 29914-29922

DOI: 10.1039/C6CP04973G
Received 17 Jul 2016, Accepted 05 Oct 2016
First published online 05 Oct 2016
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