The Synergy between Metal Facet and Oxide Support Facet for Enhanced Catalytic Performance: The Case of Pd-TiO2

Muhan Cao, Zeyuan Tang, Qipeng Liu, Yong Xu, Min Chen, Haiping Lin*, Youyong Li, Elad Gross, Qiao Zhang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

62 Scopus citations


The demand for catalyst with higher activity and higher selectivity is still a central issue in current material science community. On the basis of first-principles calculations, we demonstrate that the catalytic performance of the Pd-TiO2 hybrid nanostructures can be selectively promoted or depressed by choosing the suitable shaped Pd and TiO2 nanocrystals. To be more specific, the catalytic activities of Pd nanoparticles enclosed by (100) or (111) facets can be promoted more significantly when dosed on the TiO2(001) than on TiO2(101) under irradiation. Such theoretical prediction has then been further verified by the experimental observations in which the Pd(100)-TiO2(001) composites exhibit the highest catalytic performance toward the activation of oxygen among all the other shaped hybrid nanostructures. As a result, the selection of facets of support materials can provide an extra tuning parameter to control the catalytic activities of metal nanoparticles. This research opened up a new direction for designing and preparing catalysts with enhanced catalytic performance.

Original languageAmerican English
Pages (from-to)5298-5302
Number of pages5
JournalNano Letters
Issue number8
StatePublished - 10 Aug 2016

Bibliographical note

Funding Information:
This work was supported by the National Natural Science Foundation of China (21401135) and the Natural Science Foundation of Jiangsu Province (BK20140304). We acknowledge the financial support from the Collaborative Innovation Center of Suzhou Nano Science and Technology, the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD), and the SWC for Synchrotron Radiation Research. Q.Z. thanks the Open Research Fund of Jiangsu Key Laboratory of Environmental Material and Environmental Engineering (Yangzhou University). H.L. is grateful to the Natural Science Foundation of Jiangsu Province (BK20150305) and Soochow University (SDY2014A14) for funding. M.C. thanks the Postdoctoral Science Foundation of China (2016M591909).

Publisher Copyright:
© 2016 American Chemical Society.


  • O activation
  • Palladium
  • interaction
  • synergy
  • titania


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