Crystal facet engineering of bimetallic ABO oxides is regarded as decisive strategy for regulation of catalytic activity, whereas precisely identifying the intrinsic mechanism of facet-dependent activity are still significant challenging. Herein, crednerite CuMnO nanoflake material with tailored crystal facets were synthesized and identified as efficient peroxymonosulfate (PMS) activators, in which CuMnO-160 catalyst with exposed (201) facet exhibited more superior catalytic efficiency compared to CuMnO-80 with (020) facet towards -hydroxybenzoic acid (HBA) oxidation. Notably, CuMnO-160 demonstrated substantial activity across a wide pH range even under high concentration inorganic anions and humic acid (HA). Quenching experiments and EPR spectra elucidated the crucial reactive species of •OH and SO•, with O playing an auxiliary role in HBA degradation. Computational analysis and characterization results collectively revealed that PMS molecules adopted two distinct adsorption modes on different CuMnO facets, and the PMS adsorption-activation behavior was significantly altered by detailed atom arrangement of CuMnO in tailored exposed facets, thereby lowering the charge transfer energy barrier to favor PMS bonding interaction on (201) facet. This study systematically underscores the catalyst microstructure and crystal facet dominated PMS activation behavior and oxidation mechanism, providing valuable and novel insights for further understanding of crystal facets and the morphology control relied catalytic mechanism.

中文翻译：

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通过定制的暴露晶面深入了解 CuMnO2 中的原子排列，通过过一硫酸盐活化有效地氧化微污染物

双金属 ABO 氧化物的晶面工程被认为是催化活性调控的决定性策略，而精确识别晶面依赖性活性的内在机制仍然具有重大挑战性。本文合成了具有定制晶面的红铁矿 CuMnO 纳米片材料，并鉴定为有效的过一硫酸盐 (PMS) 活化剂，其中暴露 (201) 晶面的 CuMnO-160 催化剂与 (020) 晶面暴露的 CuMnO-80 相比表现出更优异的催化效率。 -羟基苯甲酸（HBA）氧化。值得注意的是，即使在高浓度无机阴离子和腐殖酸 (HA) 下，CuMnO-160 在较宽的 pH 范围内也表现出显着的活性。淬火实验和 EPR 谱阐明了·OH 和 SO· 的关键活性物质，其中 O 在 HBA 降解中起辅助作用。计算分析和表征结果共同表明，PMS 分子在不同的 CuMnO 晶面上采用两种不同的吸附模式，并且 CuMnO 在定制的暴露晶面上的详细原子排列显着改变了 PMS 吸附活化行为，从而降低了电荷转移能垒，有利于(201) 面上的 PMS 键合相互作用。本研究系统地强调了催化剂微观结构和晶面主导的PMS活化行为和氧化机制，为进一步理解晶面和形貌控制依赖的催化机制提供了有价值和新颖的见解。