Issue 18, 2012

Enhanced electronic conductivity by controlled self-doping in pyrochlores

Abstract

Most 5d transition-metal (TM) pyrochlores exhibit metallic behavior, but 3d and 4d TM pyrochlores are generally electronic semiconductors or insulators. Here, we report a semiconductor–metal transition induced by introducing excess Ti metal as interstitials into Y2Ti2O7. These Ti interstitials prefer anion vacant 8a sites or bridge sites between two neighboring cations along the 〈010〉 direction. Density functional theory calculations suggest that an increased electronic conductivity originates from the interplay between the extra Ti and its neighboring cations. These findings suggest a means for achieving metallic behavior in semiconducting pyrochlore oxides and tuning the electronic conduction in pyrochlores for their electrochemical applications in solid oxide fuel cells.

Graphical abstract: Enhanced electronic conductivity by controlled self-doping in pyrochlores

Article information

Article type
Paper
Submitted
08 Mar 2012
Accepted
09 Mar 2012
First published
12 Mar 2012

Phys. Chem. Chem. Phys., 2012,14, 6556-6560

Enhanced electronic conductivity by controlled self-doping in pyrochlores

H. Xiao, Y. Zhang and W. J. Weber, Phys. Chem. Chem. Phys., 2012, 14, 6556 DOI: 10.1039/C2CP40744B

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