...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Environmental Science & Technology: ES&T >Synergistic Elimination of NOx and Chlorinated Organics over VOx/TiO2 Catalysts: A Combined Experimental and DFT Study for Exploring Vanadate Domain Effect
【24h】

Synergistic Elimination of NOx and Chlorinated Organics over VOx/TiO2 Catalysts: A Combined Experimental and DFT Study for Exploring Vanadate Domain Effect

机译：Synergistic Elimination of NOx and Chlorinated Organics over VOx/TiO2 Catalysts: A Combined Experimental and DFT Study for Exploring Vanadate Domain Effect

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相关主题

摘要

Vanadium-based catalysts have been extensively applied for the synergistic control of NOx and chlorinated organics. However, how the vanadia species affect the reaction activity and products distribution, and what are the dominant reaction sites of these vanadia species are still unknown. Herein, we investigated the reaction characteristics of monomeric and polymeric vanadate domains for the catalytically synergistic elimination of NOx and chlorobenzene (CB). Density functional theory (DFT) calculations and experimental investigations have been combined to clarify the effects of different vanadyl species on the synergistic reaction. It was noted that the main adsorption site of CB on the monomeric domain was V-OH bond, and that on the polymeric one was V=O bond. The monomeric vanadyl was favorable for converting the Lewis V=O into Bronsted V-OH, which provided sufficient H protons for HCl formation, whereas the polymeric species could effectively retain the V4+/V5+ redox cycle, and yielded superior activity in CB catalytic oxidation (CBCO) reaction. However, the abundant oxygen vacancies and the inclined accumulation of Cl by forming the V-Cl bands led to significant polychlorinated byproducts on the polymeric vanadyl catalysts. Our work gives the first insight into different vanadate domain effects on the synergistic reaction, and is expected to provide theoretical basis for efficient design of the vanadium-based catalysts toward multipollutants elimination.

著录项

获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号