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Anataselike Grain Boundary Structure in Rutile Titanium Dioxide.
Schusteritsch G, Ishikawa R, Elmaslmane AR, Inoue K, McKenna KP, Ikuhara Y, Pickard CJ. Schusteritsch G, et al. Among authors: mckenna kp. Nano Lett. 2021 Apr 14;21(7):2745-2751. doi: 10.1021/acs.nanolett.0c04564. Epub 2021 Mar 31. Nano Lett. 2021. PMID: 33788564 Free PMC article.
First-Principles Modeling of Polaron Formation in TiO2 Polymorphs.
Elmaslmane AR, Watkins MB, McKenna KP. Elmaslmane AR, et al. Among authors: mckenna kp. J Chem Theory Comput. 2018 Jul 10;14(7):3740-3751. doi: 10.1021/acs.jctc.8b00199. Epub 2018 Jun 21. J Chem Theory Comput. 2018. PMID: 29874462 Free article.
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