文献类型：期刊文献

英文题名：Facet-Dependent Catalytic Activity of Platinum Nanocrystals for Triiodide Reduction in Dye-Sensitized Solar Cells

作者：Zhang, Bo[1,2];Wang, Dong[3,4];Hou, Yu[1];Yang, Shuang[1];Yang, Xiao Hua[1];Zhong, Ju Hua[2];Liu, Jian[5];Wang, Hai Feng[3,4];Hu, P.[3,4,6];Zhao, Hui Jun[7];Yang, Hua Gui[1,7]

机构：[1]E China Univ Sci & Technol, Sch Mat Sci & Engn, Minist Educ, Key Lab Ultrafine Mat, Shanghai 200237, Peoples R China;[2]E China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China;[3]E China Univ Sci & Technol, Ctr Computat Chem, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[4]E China Univ Sci & Technol, Res Inst Ind Catalysis, Shanghai 200237, Peoples R China;[5]Univ Queensland, Australian Inst Bioengn & Nanotechnol, ARC Ctr Excellence Funct Nanomat, Brisbane, Qld 4072, Australia;[6]Queens Univ Belfast, Sch Chem & Chem Engn, Belfast BT9 5AG, Antrim, North Ireland;[7]Griffith Univ, Ctr Clean Environm & Energy, Nathan, Qld 4222, Australia

年份：2013

卷号：3

外文期刊名：SCIENTIFIC REPORTS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000318840800001)】；

基金：This work was financially supported by the National Natural Science Foundation of China (20973059, 91022023, 21076076, 21203061), Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, Shanghai Municipal Natural Science Foundation (12ZR1407500), Major Basic Research Programme of Science and Technology Commission of Shanghai Municipality (10JC1403200), Australian Research Council's Future Fellowships (FT120100913) and Shanghai Natural Science Fund for Youth Scholars (12ZR1442600). P. Hu thanks the Chinese Government for the "Thousands Talents" program. H. F. W. acknowledges National Supercomputer Center in Jinan for Computing time.

语种：英文

摘要：Platinum (Pt) nanocrystals have demonstrated to be an effective catalyst in many heterogeneous catalytic processes. However, pioneer facets with highest activity have been reported differently for various reaction systems. Although Pt has been the most important counter electrode material for dye-sensitized solar cells (DSCs), suitable atomic arrangement on the exposed crystal facet of Pt for triiodide reduction is still inexplicable. Using density functional theory, we have investigated the catalytic reaction processes of triiodide reduction over {100}, {111} and {411} facets, indicating that the activity follows the order of Pt(111) > Pt(411) > Pt(100). Further, Pt nanocrystals mainly bounded by {100}, {111} and {411} facets were synthesized and used as counter electrode materials for DSCs. The highest photovoltaic conversion efficiency of Pt(111) in DSCs confirms the predictions of the theoretical study. These findings have deepened the understanding of the mechanism of triiodide reduction at Pt surfaces and further screened the best facet for DSCs successfully.