A First Principles Study on Charge Dependent Diffusion of Point Defects in Rutile TiO2

Authors :: Abu Md. Asaduzzaman
Peter Krüger
Source :: The Journal of Physical Chemistry C. 114:19649-19652
Publication Year :: 2010
Publisher :: American Chemical Society (ACS), 2010.
Abstract: A first principles theoretical study on the diffusion mechanism of Ti interstitials and O vacancies in rutile TiO2 is reported. We find that the diffusion depends strongly on the defect charge. Wea...

Subjects :: General Energy
Materials science
Optics
Condensed matter physics
Rutile
business.industry
Charge (physics)
Physical and Theoretical Chemistry
Diffusion (business)
business
Crystallographic defect
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials

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