Investigating the Energetic Ordering of Stable and Metastable TiO2 Polymorphs Using DFT+U and Hybrid Functionals-Reference-Cited by-同舟云学术

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

Published:2015-08-31 Issue:36 Volume:119 Page:21060-21071
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Curnan Matthew T.¹,Kitchin John R.¹

Affiliation:

1. Department of Materials Science and Engineering and ‡Department of Chemical Engineering, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, Pennsylvania 15213, United States

Funder

Office of Science

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.5b05338

Reference111 articles.

1. Activity and Characterization by XPS, HR-TEM, Raman Spectroscopy, and BET Surface Area of CuO/CeO2-TiO2 Catalysts

2. Crystallite Size and Morphology of the Phases in Au/TiO2 and Au/Ce-TiO2 Catalysts

3. First-principle calculations of structural and electronic properties of rutile-phase dioxides (MO2), M = Ti, V, Ru, Ir and Sn

4. TiO2 photocatalysis: Design and applications

5. Photoinduced activation of CO2 on Ti-based heterogeneous catalysts: Current state, chemical physics-based insights and outlook

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