In this work, a series of LaMnO (LM) perovskite catalysts modified at A and B sites were prepared to accelerate soot combustion. The LaSrKMnCuO (LSKMCu) modified by Sr, K and Cu has good catalytic activity and cycle stability, the presence of NO can obviously promote the oxidation of soot. A variety of characterization results show that doping the A and B sites of perovskite will not destroy the original structure of perovskite, and the doped ions (Sr, K, and Cu) can enter the perovskite catalyst well, which may be conducive to the formation of more oxygen defects and active oxygen species. According to the DFT calculation, adding Sr and K to the A sites can alter how atoms interact in a perovskite catalyst, increase the amount of unsaturated coordination bonds, and encourage the development of high-valence active ions (Mn) and oxygen defects. The doping of transition metal to the B sites results in the formation of the Cu-O-Mn link, which forms the Mn(Cu)O octahedron and stimulates the development of oxygen vacancies and the release of active oxygen. This study will provide an important reference for developing non-precious metal-based perovskite materials with high activity and low cost for catalytic combustion.

中文翻译：

---

A、B位点联合修饰的高活性La0.8-xSr0.2KxMn1-yByO3-δ钙钛矿催化剂的实验和理论研究

在这项工作中，制备了一系列在 A 和 B 位点改性的 LaMnO (LM) 钙钛矿催化剂，以加速烟灰燃烧。 Sr、K、Cu修饰的LaSrKMnCuO(LSKMCu)具有良好的催化活性和循环稳定性，NO的存在能明显促进烟灰的氧化。多种表征结果表明，对钙钛矿的A、B位进行掺杂不会破坏钙钛矿的原有结构，并且掺杂离子（Sr、K、Cu）能够很好地进入钙钛矿催化剂，可能有利于钙钛矿催化剂的形成。更多的氧缺陷和活性氧物种。根据DFT计算，在A位添加Sr和K可以改变钙钛矿催化剂中原子的相互作用方式，增加不饱和配位键的数量，并促进高价活性离子（Mn）和氧缺陷的发展。过渡金属掺杂到 B 位导致形成 Cu-O-Mn 连接，从而形成 Mn(Cu)O 八面体并刺激氧空位的发展和活性氧的释放。该研究将为开发高活性、低成本的催化燃烧非贵金属基钙钛矿材料提供重要参考。