title: Facet-dependent catalytic activity of platinum nanocrystals for triiodide reduction in dye-sensitized solar cells.
abstract: 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.
authors.affiliation: Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science & Technology, 130 Meilong Road, Shanghai 200237, China.
authors.forename: Bo
authors.initials: B
authors.lastname: Zhang
authors.forename: Dong
authors.initials: D
authors.lastname: Wang
authors.forename: Yu
authors.initials: Y
authors.lastname: Hou
authors.forename: Shuang
authors.initials: S
authors.lastname: Yang
authors.forename: Xiao Hua
authors.initials: XH
authors.lastname: Yang
authors.forename: Ju Hua
authors.initials: JH
authors.lastname: Zhong
authors.forename: Jian
authors.initials: J
authors.lastname: Liu
authors.forename: Hai Feng
authors.initials: HF
authors.lastname: Wang
authors.forename: P
authors.initials: P
authors.lastname: Hu
authors.forename: Hui Jun
authors.initials: HJ
authors.lastname: Zhao
authors.forename: Hua Gui
authors.initials: HG
authors.lastname: Yang
mesh_terms: D002384:Catalysis; D004396:Coloring Agents / Q000737:chemistry*; D011211:Electric Power Supplies; D004566:Electrodes; D004867:Equipment Design; D007454:Iodides / Q000737:chemistry*; D008422:Materials Testing; D008962:Models, Theoretical; D053758:Nanoparticles / Q000737:chemistry*; D010984:Platinum / Q000737:chemistry*; D012993:Solar Energy
chemical_list: D004396:Coloring Agents; D007454:Iodides; D010984:Platinum