title: The Synergy between Metal Facet and Oxide Support Facet for Enhanced Catalytic Performance: The Case of Pd-TiO2.
abstract: 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.
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Muhan
authors.initials: M
authors.lastname: Cao
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Zeyuan
authors.initials: Z
authors.lastname: Tang
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Qipeng
authors.initials: Q
authors.lastname: Liu
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Yong
authors.initials: Y
authors.lastname: Xu
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Min
authors.initials: M
authors.lastname: Chen
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Haiping
authors.initials: H
authors.lastname: Lin
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Youyong
authors.initials: Y
authors.lastname: Li
authors.affiliation: Institute of Chemistry, The Hebrew University of Jerusalem , Jerusalem 9190401, Israel.
authors.forename: Elad
authors.initials: E
authors.lastname: Gross
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University , 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
authors.forename: Qiao
authors.initials: Q
authors.lastname: Zhang
keywords: O2 activation; Palladium; interaction; synergy; titania