Abstract A series of catalysts were designed and synthesized via doping lanthanum into ZnCr oxide to realize efficient synthesis of isobutanol from syngas. By applying a combination of characterizations (XRD, TEM, EPR, XPS and in situ FT-IR) and DFT calculations, the effects of lanthanum promoter on catalyst structure and catalytic performance were investigated. With the doping of lanthanum, ZnCrLax composite oxides with a novel catalyst structure were constructed, in which Zn atom at tetrahedron site was partly substituted by doping La atom. The presence of this structure enhanced the formation of more oxygen vacancy sites and further benefitted the CO activation. In addition, formate intermediate was easier to generate and exhibited superior stability over ZnCrLax surface thus leaded to remarkably promoted catalytic activity. The ZnCrLa0.05 catalyst achieved optimum total alcohols selectivity of 61%, and the fraction of isobutanol reached as high as 24.6% under CO conversion of 23%.

中文翻译：

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La对合成气合成异丁醇Zn-Cr基催化剂氧空位形成的促进作用

摘要 通过在ZnCr氧化物中掺杂镧，设计合成了一系列催化剂，实现了合成气高效合成异丁醇。通过结合表征（XRD、TEM、EPR、XPS 和原位 FT-IR）和 DFT 计算，研究了镧助催化剂对催化剂结构和催化性能的影响。通过掺杂镧，构建了具有新型催化剂结构的ZnCrLax复合氧化物，其中四面体位置的Zn原子被La原子部分取代。这种结构的存在增强了更多氧空位的形成，并进一步有利于 CO 的活化。此外，甲酸盐中间体更容易生成并表现出优于 ZnCrLax 表面的稳定性，从而显着提高了催化活性。ZnCrLa0.