Coordination chemistry-driven oxygen vacancy strategy for rational design of high-performance catalysts in BTX oxidation

Abstract

With the rapid development of modern industry, volatile organic compounds (VOCs) are used in all walks of life. The widespread dissemination of VOCs, especially benzene, toluene, and xylene (BTX), has emerged as a critical environmental issue, posing significant threats to both human health and ecological systems due to their ubiquitous distribution and persistent nature. As a result, there is an urgent need for effective treatment methods to mitigate their impact. This review focuses on catalytic oxidation, a leading technology for the treatment of low to medium concentrations of VOCs. The catalyst, as the pivotal component of this technology, has attracted substantial research attention. Among diverse strategies for enhancing catalytic performance, oxygen vacancies (OVs) engineering has emerged as a particularly promising approach. This study provides a systematic and comprehensive review, structured around five key aspects: (1) Characterization of BTX Compounds: A comprehensive analysis of their properties, sources, and environmental and health implications. (2) Catalytic Functionality of OVs: An in-depth investigation into the mechanistic role of OV engineering in promoting BTX catalytic oxidation. (3) Reaction Mechanisms: A detailed elucidation of the catalytic oxidation pathways mediated by OV-rich catalysts. (4) Data Mining: an analysis of the relationship between catalyst structural features, reaction conditions, and catalytic efficiency based on the Random Forest algorithm in machine learning (5) Coordination Engineering of OVs Catalysts: A theoretical framework for optimizing OV configurations through coordination chemistry principles. (6) Sustainability Assessment: A comprehensive evaluation of catalyst systems using integrated techno-economic analysis and life cycle assessment methodologies, identifying pathways for economic and environmental optimization. Furthermore, this work also provides a forward-looking perspective on the future of catalyst development. Through identifying critical research gaps and emerging opportunities, it aims to contribute to the advancement of next-generation VOC treatment technologies, ultimately facilitating the development of more efficient and sustainable environmental remediation solutions.