Effect of yttrium concentration on energy barriers for proton conduction in barium zirconate
- Effect of yttrium concentration on energy barriers for proton conduction in barium zirconate
- 김대희; 정용찬; 김병국; 김영철
- Issue Date
- IUMRS-ICEM 2010
- •We calculated the energy barriers for the proton conduction in bulk BaZrO3 at Y concentration in the range of 3.75-25 at%.
•At low yttrium concentration from 3.75 to 6.25 at%, the proton conducts with low energy barrier of 0.21 eV because there are easy paths for the proton conduction with low yttrium concentration.
•Energy barrier for thep roton conduction is increased to 0.45 eV in Y-doped BaZrO3 at 12.5 at%.
•The energy barrier isd ecreased to 0.28 eV as increase of yttrium concentration from 12.5 to 25 at% because the trap zone of yttrium atom is overlapped by high yttrium concentration.
•Optimum yttrium concentration can be in the range of 20-40 at% with the overlapped trap zone and high proton concentration.
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