科研之友
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摘要
Silver orthophosphate (Ag3PO4) exhibits extremely high photocatalytic activity under visible light. Gaining insight into the behavior of point defects would open opportunities for new applications. Our hybrid density-functional calculations show that intrinsic point defects are unlikely to cause carrier trapping. Charge neutrality analysis suggests that Ag3PO4 possibly behaves as a weak n-type semiconductor under the O-poor condition and as a weak p-type semiconductor under the O-rich condition. Unlikely to other oxides, unintentionally incorporated hydrogen does not necessarily lead to strong n-type conductivity. Migration properties of some Ag-related defects and hydrogen are also discussed.
- 出版日期2013-6-17
- 单位天津大学
