Investigating the Energetic Ordering of Stable and Metastable TiO2 Polymorphs Using DFT+U and Hybrid Functionals
@article{curnan-2015-inves-energ,
author = {Matthew Curnan and John R. Kitchin},
title = {Investigating the Energetic Ordering of Stable and Metastable
TiO$_2$ Polymorphs Using DFT+U and Hybrid Functionals},
journal = {The Journal of Physical Chemistry C},
volume = {119},
year = 2015,
doi = {10.1021/acs.jpcc.5b05338},
url = { http://dx.doi.org/10.1021/acs.jpcc.5b05338 },
eprint = { http://dx.doi.org/10.1021/acs.jpcc.5b05338 },
}Manuscript: ./manuscript.org ./manuscript.pdf
Supporting information: ./supporting-information.org ./supporting-information.pdf