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oai:figshare.com:article/34044370 2026-10-01T11:14:42Z category_4 category_146 category_8 category_272 category_873 portal_63 item_type_6 month_year_10_2026

Role of Frustrated Lewis Pairs in α‑MnO₂ for Low-Temperature Toluene Oxidation with Ozone Sijia Bai (18560654) Yuqin Lu (14255010) Hua Deng (1335612) Jianguo Ding (13934673) Jianming Yu (102511) Hong He (221185) Biochemistry Space Science Microbiology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified volatile organic compounds frustrated lewis pairs determines surface defects crystal transformation approach active site distribution 30 ° c insufficient oxygen vacancies abundant oxygen vacancies temperature toluene oxidation prepared three α saturated mn sites 4 +</ sup 3 </ sub 2 </ sub far surpassing mno α ‑ mno oxygen anions toluene conversion optimized mn mn cations favorable mn work demonstrates voc removal superior performance redox properties highly synthesis effective strategy catalytic performance The catalytic performance of α-MnO₂ in the ozonation of volatile organic compounds (VOCs) is highly synthesis-dependent, which determines surface defects, redox properties, and active site distribution. To investigate this, we prepared three α-MnO₂ catalysts through precipitation (MnO₂–P), hydrothermal synthesis (MnO₂–H), and the crystal transformation approach (MnO₂–C). The superior performance of MnO₂–C is attributed to its abundant oxygen vacancies and favorable Mn³⁺/Mn⁴⁺ ratio, whereas the efficiency of MnO₂–P and MnO₂–H is limited by their coordination-saturated Mn sites and insufficient oxygen vacancies, leading to poor O₃ activation. In contrast, the crystal transformation approach induces structural defects in MnO₂–C, creating abundant oxygen vacancy clusters and an optimized Mn³⁺/Mn⁴⁺ ratio. This unique configuration forms frustrated Lewis pairs (FLPs) between Mn cations (LA) and oxygen anions (LB), synergistically activating O₃ to generate reactive oxygen species. As a result, MnO₂–C achieves 100% toluene conversion with 85% CO₂ selectivity at 30 °C, far surpassing MnO₂–P and MnO₂–H. This work demonstrates that defect engineering via crystal transformation is an effective strategy for designing highly active catalysts for VOC removal. 2026-10-01T00:00:00Z Text Journal contribution 10.1021/acs.iecr.6c02799.s001 https://figshare.com/articles/journal_contribution/Role_of_Frustrated_Lewis_Pairs_in_MnO_sub_2_sub_for_Low-Temperature_Toluene_Oxidation_with_Ozone/34044370 CC BY-NC 4.0