期刊
TOPICS IN CATALYSIS
卷 65, 期 7-8, 页码 934-943出版社
SPRINGER/PLENUM PUBLISHERS
DOI: 10.1007/s11244-022-01625-2
关键词
VOC oxidation; Ceria; Cerium oxide; Benzyl species
资金
- Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) [PIP2014-11220130100086CO]
- Agencia Nacional de Promocion de la Investigacion, el Desarrollo Tecnologico y la Innovacion (ANPCyT) [PICT-2018-01332, PICT-2017-1342]
The adsorption of toluene on cerium oxide was investigated using experimental and computational methods. It was found that toluene undergoes dissociative adsorption, resulting in the formation of benzyl and surface hydroxyl species. Further analysis using DRIFTS and mass spectrometry revealed that the benzyl species are oxidized by lattice oxygen to various products.
The adsorption of toluene on cerium oxide was investigated by using in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations. It is shown that the toluene molecule undergoes dissociative adsorption with the loss of a hydrogen atom from the methyl group and the generation of both, a benzyl (C6H5-CH2-) and a surface hydroxyl species. Characteristic infrared signals are observed due to the formation of a methylene group at 2800 cm(-1) (nu CH2) and 1300 cm(-1) (delta CH2). All vibrational modes were identified combining DFT calculations of the optimized system and experimental evidences. An adsorbed stable benzyl structure was identified with a binding energy of about - 0.65 eV, which supports the experimental findings. Temperature programmed surface reaction followed by DRIFTS and mass spectrometry showed that benzyl species are oxidized by lattice oxygen to benzoate, formate and, finally, to CO and CO2. Understanding the reactivity of ceria surfaces is key to improve the performance of combustion catalysts for volatile organic compounds abatement.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据