Reutilization of carbon dioxide (CO₂) and destruction of chemical warfare agents (CWAs) at ambient conditions are deemed as two of the crucial challenges to steer toward a more sustainable future because they can cause great hazard to human beings and environment. Design of stable, selective and powerful catalysts for multi-functional catalysis is highly desirable yet largely unmet. In this work, a series of novel decavanadate-based transition metal clusters (POVs-TM, compounds 1–5) have been reported. Compounds 1–5 possess decavanadate-centered structures in which one decavanadate cluster bridged two bridged or free transition metal units. Decavanadate unit, serving as redox center can construct bifunctional catalysis platform with transition metal. Thus-obtained clusters can serve as powerful bifunctional catalysts in both cycloaddition of CO₂ and degradation of sulfur mustard simulant. Specially, compound 1 presented high performance (conv. up to 99.4 %, sele. up to 99.5 %) in chemical fixation of CO₂ into valuable cyclic carbonates with simulated flue gas as the gas resource. Besides, compound 3 performed superior efficiency (conv. 98.9 %, sele. 98.7 %) than other catalysts in the degradation of sulfur mustard simulant under ambient conditions. These dual-function validated POVs-TM clusters hold much promise in the exploration of novel catalysts for applications like continuous catalytic or flow bed reactions.

二氧化碳（CO ₂）和在环境条件下销毁化学战剂（CWA）被认为是引领更可持续的未来的两个关键挑战，因为它们可能对人类和环境造成巨大危害。设计用于多功能催化的稳定，选择性和功能强大的催化剂是非常需要的，但尚未得到广泛的满足。在这项工作中，已报道了一系列新型的基于十钒酸盐的过渡金属簇（POVs-TM，化合物1-5）。化合物1-5具有以十钒酸盐为中心的结构，其中一个十钒酸盐簇簇桥接两个桥接或自由过渡金属单元。十氧钒酸盐单元作为氧化还原中心可以用过渡金属构建双功能催化平台。如此获得的团簇可以在CO _2的两个环加成中充当强大的双功能催化剂和硫芥末模拟物的降解。特别地，化合物1在以模拟烟道气为气体资源将CO ₂化学固定为有价值的环状碳酸盐中表现出了很高的性能（转化率最高为99.4％，硒高达99.5％）。此外，在环境条件下，化合物3在降解硫芥菜模拟剂方面表现出比其他催化剂更高的效率（转化率98.9％，硒98.7％）。这些经过双重功能验证的POVs-TM簇在探索用于连续催化或流化床反应等应用的新型催化剂方面具有广阔的前景。