α-Fe2O3 纳米片对类芬顿过程中活性氧生成的面依赖性反应性,Applied Catalysis B: Environment and Energy

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α-Fe2O3 纳米片对类芬顿过程中活性氧生成的面依赖性反应性
Applied Catalysis B: Environment and Energy ( IF 20.2 ) Pub Date : 2023-08-11 , DOI: 10.1016/j.apcatb.2023.123165
Yue Yin , Yake Zhang , Bo Wu , Limin Hu , Yan Wang , Junfeng Wan , Weiming Zhang

物理结构（尺寸、形态和暴露面）的差异将导致对类芬顿机制的理解出现分歧。在此，通过超声辅助方法制备了以（3 1 1）面为主的氧化铁纳米片，以揭示催化描述符的单因素。 H2O在(3 1 1)面上的吸附能为-0.99 eV，低于其他面如(4 0 0)和(2 2 0)上的吸附能。此外，(4 0 0)、(2 2 0)和(3 1 1)面上H2O激活的能垒分别为0.82、0.64和0.30 eV。这将有利于羟基自由基 (H2O) 形成过程中 H2O 在 (3 1 1) 面上的吸附和活化。此外，吸附在(3 1 1)面上的中间O将作为前体形成第一激发态单线态氧(O)，用于污染物的高级氧化。此外，FeO-片的纳米片结构和良好的电化学性能也将促进FeO-片/H2O系统中的电子转移。总的来说，这项研究提供了暴露面与H2O活化效率之间关系的全面视角，并优化了废水深度净化中具有高芬顿活性的催化剂的设计。

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Facet-dependent reactivity of α-Fe2O3 nanosheet on reactive oxygen species generation in Fenton-like process

Differences in physical structure (, size, morphology, and exposed facets) will lead to divergence in the understanding of Fenton-like mechanisms. Herein, an iron oxide nanosheet predominated by (3 1 1) facet was prepared by the ultrasonic-assisted method to reveal the single factor of the catalytic descriptors. The adsorption energy of HO on the (3 1 1) facet was only −0.99 eV, which was lower than that on other facets such as (4 0 0) and (2 2 0). Moreover, the energy barriers for the HO activation on (4 0 0), (2 2 0) and (3 1 1) facets were 0.82, 0.64 and 0.30 eV, respectively. This will facilitate the adsorption and activation of HO on the (3 1 1) facet during hydroxyl radicals (HO) formation. Furthermore, intermediate O adsorbed on the (3 1 1) facet will act as a precursor to form the first-excited-state singlet oxygen (O) for advanced oxidation of pollutants. Additionally, the nanosheet structure and good electrochemical properties of the FeO-sheet will also facilitate electron transfer in FeO-sheet/HO system. Overall, this study provides a comprehensive view on the relationship between exposed facets and the efficiency of HO activation, and optimizes the design of catalysts with high Fenton-like activity in the deep purification of wastewater.

更新日期：2023-08-11

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