超纯水生产过程中不可避免地会导致H2O2产生，需要有效去除。目前超纯水制备过程中H2O2的去除主要使用铂族金属基催化材料，但面临活性低、稳定性差、价格贵等问题。本研究以实现中性条件下H2O2的高效分解为目的，研究铂族金属基催化材料对H2O2的分解特性与机理，研发高性能催化H2O2分解技术，为超纯水制备提供技术支撑。将铂、钯、铑、铱、钌等铂族金属分别负载于氮掺杂多孔碳（NC）并评价其H2O2分解活性，发现其中NC负载铱纳米材料（Ir-NC）催化H2O2分解的表观反应速率常数最高。Ir-NC催化H2O2分解为动力学控制过程，二级反应，铱活性位点催化H2O2分解的速率常数为1.03×105 M-1·min-1，是常用载钯树脂的200倍。H2O2分解路径包括H2O2吸附与均裂、OH复合、O2生成与脱附。H2O2均裂和OH复合是决定H2O2分解活性的关键步骤。通过研究活性中心电子结构与反应活性的关系，发现金属活性中心含有未占据或部分占据的dx2?y2, dz2和 dxz 轨道且具有较高的轨道能量可强化金属活性中心与H2O2的相互作用，降低关键步骤反应能垒，进而展现更高H2O2分解活性。向Ir-NC中引入不同过渡金属构筑多种双金属纳米材料，发现NC负载铱-铁双金属材料（IrFe-NC）铱负载量仅为Ir-NC的十分之一，分解H2O2的表观反应速率常数却提升了26.7%。 IrFe-NC分解H2O2为动力学控制过程，二级反应。铱-铁双金属活性位点催化H2O2分解的反应速率常数最小值为3.16×106 M-1·min-1，是铱与铁单金属活性位点反应速率常数之和的33倍，表明铱-铁双金属活性位点对H2O2分解的协同强化效应。研究了铱-铁协同强化H2O2分解性能的机理，发现由于铱-铁之间电子结构的相互影响，导致双还原性吸附位点的形成，强化了活性位点与H2O2之间的相互作用，降低了H2O2分解过程的能垒。通过基于脉冲激光的高效材料合成方法，得到活性碳负载铱-铁双金属催化材料（IrFe-AC）。IrFe-AC分解H2O2是动力学控制过程，二级反应。该材料中铱-铁双金属活性位点催化H2O2分解的反应速率常数最小值为3.53×106M-1·min-1，相较于IrFe-NC提升了11%。通过单金属、双金属活性位点以及活性碳对H2O2的协同分解效果，使得IrFe-AC在中性条件下具有更高的H2O2分解效率。

Ultrapure water (UPW) is an important raw material for semiconductor manufacture, with large demand and strict water quality requirements. The production process of UPW inevitably leads to the generation of hydrogen peroxide (H2O2), which affects UPW preparation and semiconductor manufacture, and needs to be effectively removed. At present, the H2O2 removal in UPW preparation is mainly through platinum group metal (PGM)-based catalytic materials, but facing problems of low activity, poor stability, and high cost. The purpose of this study is to achieve highly efficient H2O2 decomposition under neutral conditions, to study the decomposition characteristics and mechanism of H2O2 by PGM-based catalytic materials, to propose the regulation strategy of H2O2 decomposition activity, to develop high-performance H2O2 decomposition technology and to provide technical support for the UPW preparation.Platinum group metals (platinum, palladium, rhodium, iridium, ruthenium) were loaded on nitrogen-doped porous carbon (NC), respectively, and their H2O2 decomposition activities under neutral conditions were evaluated. It was found that NC-supported iridium nanomaterials (Ir-NC) showed the best H2O2 decomposition activity. The decomposition of H2O2 catalyzed by Ir-NC was a kinetically controlled process and the reaction was a second-order reaction. The reaction rate constant for the H2O2 decomposition catalyzed by Ir active site was 1.03×105 M-1·min-1, which was 200 times higher than that of the palladium-doped resin used in the actual UPW preparation.O2 was the main product of the H2O2 decomposition by PGM-based nanomaterials. Surface-adsorbed atomic oxygen (*O) was observed in situ and confirmed to be the key intermediate for O2 generation. The H2O2 decomposition pathway on PGM-based nanomaterials included H2O2 adsorption and homolysis, OH recombination, O2 generation, and desorption. H2O2 homolysis and OH recombination were the key steps that determined the H2O2 decomposition rate. By studying the relationship between electronic structure and the reaction activity, it was found that the metal active sites had unoccupied or partially occupied dx2?y2, dz2, dxz orbitals and higher orbital energies tended to interact stronger with H2O2, resulting in lower energy barriers of key reaction steps and higher H2O2 decomposition activities.A variety of transition metals were introduced into Ir-NC to construct dual-metal nanomaterials and their H2O2 decomposition activities under neutral conditions were evaluated. NC-supported Ir-Fe dual-metal nanomaterials (IrFe-NC) had only one-tenth iridium content of Ir-NC but the apparent reaction rate constant increased by 26.7%. The H2O2 decomposition by IrFe-NC was a kinetically controlled process and the reaction was a second-order reaction. The minimum reaction rate constant of H2O2 decomposition catalyzed by the Ir-Fe dual-metal active site was 3.16×106 M-1·min-1, which was 33 times higher than the sum of reaction rate constants of single Ir and Fe active sites, reflecting the synergy of Ir-Fe dual-metal active sites to H2O2 decomposition. The synergistic strengthening mechanism of Ir-Fe dual-metal active sites for H2O2 decomposition was investigated. It was found that the interaction between electronic structures of Ir and Fe led to the formation of double reductive adsorption sites, which strengthened the metal-H2O2 interaction and reduced the energy barrier of the H2O2 decomposition process.Activated carbon-supported Ir-Fe dual-metal materials (IrFe-AC) were synthesized by an efficient method based on pulsed laser. The H2O2 decomposition by IrFe-AC was a kinetically controlled process and the reaction was a second-order reaction. The minimum second-order reaction rate constant of the Ir-Fe dual-metal active site in IrFe-AC was 3.53×106 M-1·min-1, which was 11% higher than that of IrFe-NC. The synergistic decomposition of H2O2 by single Ir and Fe active sites, Ir-Fe dual-metal active sites, and activated carbon resulted in the better H2O2 decomposition efficiency of IrFe-AC.