Dataset: Strain boosts propanol electrosynthesis from CO

The two-step electroreduction of CO2 to CO followed by CO to multi-carbon products is a promising alternative to the direct CO2 electroreduction for both efficiency and stability. The catalyst features which control selectivity in CO electroreduction (CORR) remain unclear, which limits further advancement in the overall performance. Herein, we map the CORR sensitivity to the catalyst features exploiting well-defined copper nanocrystals (NCs) with tunable shape and size. After clarifying the dependence of ethylene, methane and acetate on the exposed surfaces, we reveal that copper nanospheres uniquely promote n-propanol selectivity. We point at the importance of strain as one of the key factors underlying the observed propanol selectivity. Inspired by these insights, we achieve n-propanol production via electrosynthesis with a copper-only catalyst.将二氧化碳（CO₂）先电还原为一氧化碳（CO），再将CO进一步电还原为多碳产物的两步法路径，在反应效率与稳定性上均优于直接二氧化碳电还原路径，是颇具应用前景的替代方案。当前调控一氧化碳电还原（CO electroreduction, CORR）反应选择性的催化剂特征尚未明确，这一短板制约了该路径整体性能的进一步提升。本文基于结构明确、形貌与尺寸可精准调控的铜纳米晶体（nanocrystals, NCs），构建了CORR反应敏感性与催化剂特征之间的构效关系图谱。在明确乙烯、甲烷与乙酸酯的产物分布对催化剂暴露晶面的依赖关系后，我们发现铜纳米球可特异性提升正丙醇的反应选择性。同时我们指出，晶格应变是决定正丙醇选择性的核心影响因素之一。受上述研究结论启发，我们仅使用纯铜基催化剂，通过电合成方法实现了正丙醇的高效制备。