双功能
催化作用
光催化
密度泛函理论
选择性
化学工程
纳米技术
纳米颗粒
材料科学
化学
甘油
光化学
计算化学
有机化学
工程类
作者
Mingyu Gao,Xinyi Zhang,Xintao Li,Qian Wang,Junting Feng,Dianqing Li
摘要
Abstract We propose to fabricate a bifunctional photocatalyst for cooperative glycerol selective oxidation and H 2 evolution. The key role of interface scale (nanometer, subnanometer, or atomic level) on tuning catalysis performance was revealed. Specifically, series Pt/defective TiO 2 with tailored interface scale were constructed by loading Pt nanoparticle, cluster, and single atom on V Ti ‐enriched TiO 2 . It was uncovered that reducing interface scale could largely improve the visible‐light utilization efficiency, the photoexcited electron–hole separation, and well tuned the band structure. It could also enhance the metal–support interaction and thus adjust the chemical behavior toward reactant molecules. The optimized isolated Pt/defective TiO 2 with atomic‐level interface achieved 90.6% glycerol conversion and 87.2% C 3 products selectivity, accompanied by 7250.4 μmol g −1 H 2 accumulative yield. It also exhibited long‐term stability of 36 h without performance loss. Besides, the dominate active site was identified and the possible reaction mechanism was illustrated combined with Density Functional Theory (DFT) calculation and quasi in situ experiments.
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