Crystal facet engineering plays a key role in the development of non-noble metal-based catalysts to be applicable in removal of atmospheric pollutants. Herein, we report a facile and effective reflux strategy for manipulating the exposed {112} crystal facets of Co₃O₄ hexagonal nanosheets with enhanced catalytic activity and water resistance for CO and hydrocarbons (methane and toluene) oxidation. Temperature-programmed techniques and density functional theory (DFT) calculations demonstrate the process that surface lattice oxygen on Co₃O₄(112) activates the first C-H bond to form oxygen vacancies (1.84 eV) is easier than that (3.12 eV) on Co₃O₄(111) while activation barrier (2.00 eV) on Co₃O₄(112) from CO₂ to bicarbonates is higher than that (0.60 eV) on Co₃O₄(111), as a result of boosting catalytic oxidation and water resistance. The present work demonstrates that crystal facet engineering is a potential route to improve water resistance of Co₃O₄ catalysts with highly promising in practical application.

晶体刻面工程在可用于去除大气污染物的非贵金属基催化剂的开发中起着关键作用。本文中，我们报道了一种简便有效的回流策略，用于处理Co ₃ O ₄六角形纳米片的暴露的{112}晶面，具有增强的催化活性和对CO和碳氢化合物（甲烷和甲苯）氧化的耐水性。程序升温技术和密度泛函理论（DFT）计算表明，Co ₃ O ₄（112）上的表面晶格氧激活第一个CH键以形成氧空位（1.84 eV）的过程比Co（3.12 eV）容易。₃ Ò ₄（111），同时对Co活化障碍（2.00 eV）的₃ Ô ₄（112）从CO ₂至碳酸氢盐是对Co比（0.60 eV）的更高₃ Ô ₄（111），作为升压催化氧化及耐水性的结果。目前的工作表明，晶面工程是提高Co ₃ O ₄催化剂的耐水性的潜在途径，在实际应用中具有很大的前景。