大学化学 >> 2022, Vol. 37 >> Issue (12): 2112034.doi: 10.3866/PKU.DXHX202112034

化学实验 上一篇    下一篇

表面结构与催化性能关系的模型催化实验——以CuO/Cu2O纳米晶催化乙烯实验与量化计算为例

刘梓歌, 王炯涵, 李俍, 江国顺, 李红春, 吴强华, 张万群, 冯红艳, 吴红(), 王钰熙()   

  • 收稿日期:2021-12-14 录用日期:2022-01-18 发布日期:2022-03-07
  • 通讯作者: 吴红,王钰熙 E-mail:wuhong90@ustc.edu.cn;wangyuxi@ustc.edu.cn
  • 作者简介:王钰熙, Email: wangyuxi@ustc.edu.cn
    吴红, Email: wuhong90@ustc.edu.cn
  • 基金资助:
    中国科学技术大学本科教学改革项目(2021xjyxm031)

Surface Structure Dependence of CuO/Cu2O Nanocrystal on Catalytic Oxidation of Ethylene

Zige Liu, Jionghan Wang, Liang Li, Guoshun Jiang, Hongchun Li, Qianghua Wu, Wanqun Zhang, Hongyan Feng, Hong Wu(), Yuxi Wang()   

  • Received:2021-12-14 Accepted:2022-01-18 Published:2022-03-07
  • Contact: Hong Wu,Yuxi Wang E-mail:wuhong90@ustc.edu.cn;wangyuxi@ustc.edu.cn

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摘要：

表面催化是物理化学学科方向的重要分支内容，其中的一个研究重点是催化剂表面结构与催化性能之间的关系。在理论教学中，物质结构决定性质这一理念是教师教学与学生学习的重点，而在实验教学中却鲜有将催化剂微观结构与宏观性能联系起来的探究内容。我们着重参考了使用纳米晶作为模型催化剂进行表面结构与性能关系探究的一系列科研前沿文章，结合教学条件选取了暴露(100)晶面和(111)晶面的立方体和八面体CuO/Cu2O纳米晶作为模型催化剂体系，设计了结合催化剂活性测试和量化计算的创新综合实验。实验和量化计算的结果相互验证，互为补充，有利于学生掌握研究催化剂宏观催化性能与微观表面结构关系的方式方法。

关键词: 表面结构, 催化活性, 量化计算, 表观活化能, 吸附能

Abstract:

Surface catalysis is an important branch of physical chemistry. The relationship between the surface structure of the catalyst and its catalytic performance is one of the most challenging issues in the fundamental studies of surface catalysis. However, the research contents are rarely involved in the teaching content of chemistry laboratory. In this experiment, we studied the structure-catalytic performance relation of CuO/Cu2O core-shell nanocrystals with different surface structures by combining reaction kinetics analysis and DFT calculations on their catalytic performance in ethylene oxidation. Through this experiment, students will get a profound insight into the relationship between structures and properties of catalysts in surface catalysis.

Key words: Surface structure, Catalytic activity, Quantum chemistry calculation, Apparent activation energy, Adsorption energy