Cu 单原子催化剂用于高选择性的电催化乙烯半化
Xiaoli Jiang1, Lei Tang1, Lei Dong1
1Key Laboratory for Ultrafine Materials of Ministry of Education, School of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, China.
Angewandte Chemie (International ed. in English)
|June 28, 2023
概括
在电催化中孤立的铜位点可以防止过度化和不必要的合,从而提高乙烯半化中的乙烯选择性. 这种策略通过抑制副作用反应来提高催化剂的性能.
科学领域:
- 不同质的催化剂.
- 电触媒溶解是一种电触媒.
- 材料科学 是一种材料科学.
背景情况:
- 位点隔离是热性乙半化中的关键,以防止过度化和C-C合.
- 有限的研究存在于应用位点隔离到电催化乙烯半化.
研究的目的:
- 研究电催化乙半化中位点隔离的有效性.
- 开发用于乙烯生产的高度选择性催化剂.
主要方法:
- 密度函数理论 (DFT) 模拟用于计算能量障碍.
- 在添加碳上合成铜单原子催化剂.
- 在高度乙中进行电催化性能测试.
主要成果:
- DFT模拟显示,孤立的Cu位点增加了过和C-C合的能量障碍.
- 开发的Cu单原子催化剂实现了>80%的乙烯法拉代克效率.
- 观察到微不足道的C4形成 (<1%FE) 和没有乙,表明高选择性.
结论:
- 孤立的Cu位点有效地抑制了电催化乙半化中的副作用.
- 较弱的乙烯中间体吸附和高C-C合障碍在孤立的地点至关重要.
- 这项工作为设计用于乙转换的选择性电催化剂提供了洞察力.
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