...
首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Chemical Reactivity Indices as a Tool for Understanding the Support-Effect in Supported Metal Oxide Catalysts
【24h】

Chemical Reactivity Indices as a Tool for Understanding the Support-Effect in Supported Metal Oxide Catalysts

机译:化学反应性指标作为了解负载型金属氧化物催化剂中负载效应的工具

获取原文
获取原文并翻译 | 示例
           

摘要

The oxidation of methanol to formaldehyde on supported vanadium oxides is investigated with chemical reactivity indices. Starting from a simple model for isolated vanadium oxides supported on SiO2, Al2O3, TiO2, and ZrO2, a detailed investigation of the reaction mechanism for methanol oxidation on these catalysts is presented. Our results follow current insights into the reaction mechanism and provide a new interesting way for rationalizing the support-effect on the basis of the concept of bond ionicity as probed by computed electrostatic potential based atomic charges for the vanadium and oxygen atoms. The origin of this rationalization is further investigated by visualizing the density of the determining vanadium-oxygen-support structure for the different supports.
机译:用化学反应指数研究了甲醇在负载型钒氧化物上的氧化成甲醛。从简单的SiO2,Al2O3,TiO2和ZrO2上负载的钒氧化物的模型开始,对甲醇在这些催化剂上氧化的反应机理进行了详细研究。我们的结果遵循了对反应机理的最新见解,并为键合离子性的概念提供了一种有趣的新方法,以合理化支持作用,如通过计算出的基于钒和氧原子的静电势原子电荷所探测到的。通过可视化确定不同载体的钒-氧载体结构的密度,可以进一步研究这种合理化的起源。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
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