Construction of Highly Active Pd–Ti3+ Sites in Defective Pd/TiO2 Catalysts for Efficient Hydrogenation of Styrene–Butadiene–Styrene

• DOI: 10.1021/acscatal.3c04811
• Publication Date: 2024-01-12T12:37:10Z
• Authors: Shidong Wang; Bingqing Ge; Zongxuan Yang; Hongwei Zhang; Qin Yang; Cejun Hu; Xiaojun Bao; Pei Yuan

Defect-rich Pd/TiO2 catalysts are intensively adopted in heterogeneous hydrogenation reactions; however, the complexity of defect structure makes it difficult to precisely identify which Pd-defect combination dominates catalytic activity. Herein, defective TiO2 nanoflakes with tunable ratios Vo Ti3+ defects were synthesized and used construct Pd–Vo Pd–Ti3+ active sites after loading Pd investigate role regulating structural properties catalysts. Combining experimental results theoretical calculations, we reveal that both act as electron donors for induce strong metal–support interaction. When compared defect, behaves more significantly donates electrons, causing species on be better dispersed rich electrons. These unique features endow centers enhanced adsorption–activation ability toward C═C H2 well reduced energy barrier rate-limiting step, thus improving intrinsic The site manifests a high turnover frequency 348 h–1 degree 97% styrene–butadiene–styrene, outperforms (254 78%) nanoparticle (217 53%). This work provides deep insight into metal sites, can guide development high-performance versatile applications.