A series of Cu–Fe spinel-type catalysts were synthesized by sol–gel auto-combustion method for the catalytic combustion of HCHO. A combined experimental and theoretical investigation based on in situ FT-IR and density functional theory (DFT) was performed to uncover the reaction process of HCHO catalytic combustion on Cu–Fe spinel-type catalysts. The results show that Cu_xFe_(3-x)O₄ catalysts display the typical pattern of spinel structure. The chemical states of Cu and Fe cations on the catalyst surface include Cu⁺, Cu²⁺, Fe²⁺ and Fe³⁺. Cu_0.5Fe_2.5O₄ exhibits excellent HCHO oxidation efficiency and good water-resistance performance. The superior catalytic performance of Cu_0.5Fe_2.5O₄ catalyst is closely associated with the high crystalline degree of spinel. The flexible valences of metal cations in spinel-type catalysts are beneficial for electron transfer, thus facilitates HCHO adsorption and oxidation. Formate species (HCO₂) is the major reaction intermediate during HCHO combustion. The reaction pathway of HCHO catalytic combustion contains eight elementary steps: HCHO adsorption, H₂CO₂ dehydrogenation, HCO₂ dehydrogenation, CO₂ desorption, O₂ adsorption, OOH formation, H₂O formation and desorption. HCO₂ dehydrogenation is identified as the rate-determining step because of the highest energy barrier of 254.80 kJ/mol.

采用溶胶-凝胶自燃法合成了一系列Cu-Fe尖晶石型催化剂，用于HCHO的催化燃烧。基于原位FT-IR 和密度泛函理论 (DFT) 的实验和理论研究相结合，揭示了 HCHO 催化燃烧在 Cu-Fe 尖晶石型催化剂上的反应过程。结果表明，Cu _x Fe _{(3- x )} O ₄催化剂呈现出典型的尖晶石结构模式。催化剂表面Cu和Fe阳离子的化学态包括Cu ⁺、Cu ²⁺、Fe ²⁺和Fe ³⁺。铜_0.5铁_2.5氧₄表现出优异的 HCHO 氧化效率和良好的耐水性能。_{Cu 0.5} Fe _2.5 O ₄催化剂优异的催化性能与尖晶石的高结晶度密切相关。尖晶石型催化剂中金属阳离子的灵活价态有利于电子转移，从而促进 HCHO 的吸附和氧化。甲酸盐物质 (HCO ₂ ) 是 HCHO 燃烧过程中的主要反应中间体。HCHO催化燃烧的反应路径包含八个基本步骤：HCHO吸附、H ₂ CO ₂脱氢、HCO ₂脱氢、CO ₂解吸、O ₂吸附、OOH 形成、H ₂ O 形成和解吸。由于 254.80 kJ/mol 的最高能垒，HCO _{2脱氢被确定为速率决定步骤。}