Abstract:

The high-value utilization of carbon dioxide (CO₂) is an important measure to address global climate change and energy shortages. Low-carbon olefins, as basic chemical raw materials, are one of the main products of CO₂ hydrogenation. Iron (Fe)-based catalysts, with their high CO₂ catalytic activity and low preparation cost, have become the most promising catalytic materials for this conversion process, but their selectivity for low-carbon olefins still needs to be improved. With the focus on Fe-based catalysts for CO₂ hydrogenation to produce low-carbon olefins, this paper introduces the adsorption, activation and reaction mechanism of CO₂ on the surface of Fe-based catalysts, elucidates the evolution of catalyst structure during the reaction process (activation, carburization, and deactivation), and analyzes the composition and structural factors affecting the performance of Fe-based catalysts. Moreover, it proposes strategies and methods to further improve the performance of catalysts, namely deepening the understanding of reaction mechanisms through simulation calculations and in-situ characterizations, systematically exploring the regulation mechanism of additives and carriers on the structure and properties of Fe-based catalysts, and designing catalysts rationally based on reaction characteristics.

Key words: carbon dioxide, hydrogenation, activation, hydrocarbons, catalyst, selectivity, stability

摘要：

二氧化碳（CO₂）的高值化利用是解决全球气候变暖和能源短缺问题的重要举措，低碳烯烃作为基础化工原料，是CO₂加氢转化的主要产品之一。铁（Fe）基催化剂以其较高的CO₂催化活性和低廉的制备成本成为该转化过程最具应用潜力的催化材料，但其对低碳烯烃的选择性仍有待提高。本文以CO₂加氢制低碳烯烃Fe基催化剂为研究对象，介绍了Fe基催化剂表面CO₂的吸附活化与反应机制，阐述了Fe基催化剂在反应过程中的结构演变规律（活化、碳化与失活），分析了影响Fe基催化剂性能的组成与结构因素；提出进一步提升催化剂性能的思路与方法，即借助模拟计算和原位表征技术深化对反应机制的认识，系统探究助剂和载体对Fe基催化剂结构和性质的调控机制，并结合反应特性对催化剂进行合理设计。

关键词: 二氧化碳, 加氢, 活化, 碳氢化合物, 催化剂, 选择性, 稳定性