Journal
ACS CATALYSIS
Volume 5, Issue 6, Pages 3540-3551Publisher
AMER CHEMICAL SOC
DOI: 10.1021/cs501631n
Keywords
heterojunction photocatalysts; crystal facet engineering; internal electric fields; directional transfer of carriers; first-principles study
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Funding
- National Natural Science Foundation of China [21173131]
- 973 Program of China [2009CB930103, 2010CB933504]
- Independent Innovation Foundation of Shandong University [2012TS212]
- Taishan Scholar Project of Shandong Province
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Two comparable models of BiOI/BiOCl heterojuctions with different interface structures (crystal surface orientation and crystal surface combination), denoted as BiOI(001)/BiOCl(001) and BiOI(001)/BiOCl(010), have been prepared via integrating heterojuncton nanostructure construction with crystal facet engineering. BiOI(001)/BiOCl(010) had a greater degree of lattice mismatch and displayed higher visible-light photocatalytic activity than BiOI(001)/BiOCl(001). In general, the activity of a photocatalyst (eta(PC)) has a positive correlation with light harvesting (eta(LH)) charge separation (eta(CS)), and charge injection (eta(CI)) On the basis of the experimental results, we considered that the higher (eta(CI)) value of BiOI(001)/BiOCl(010) was the main reason for its better visible-light photocatalytic performance. In combination with theoretical calculations, we found that the higher eta(CI) value of BiOI(001)/BiOCl(010) was the result of a shorter photogenerated electron diffusion distance, assisted by the self-induced internal electric fields of the BiOCl slabs. This indicated that the crystal facet combination is the key to enhancing the photocatalytic activity of BiOI/BiOCl. Our work offers an archetype for the further design of heterojunction photocatalysts with a fine tuning of the interface structures in order to reach optimized charge injection and enhanced photocatalytic activity.
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