Zhikun Dai, Lingling Feng, Sizhen Bi, Huiyue Wang, Guixin Hu, Xinyao Zhang, Qianyu Wei, Xueying Wen*, Ran Niu*, Jiang Gong*

From waste phosphogypsum to MOF: Facile ligand-regulated synthesis of MOF for efficient water-evaporation-induced electricity generation

Chemical Engineering Journal (2026) accept. (IF2026 = 12.5)

Converting phosphogypsum into metal-organic framework (MOF) for water-evaporation-induced electricity generation enables the mitigation of energy crisis and the high-value utilization of industrial solid waste. However, the influence mechanisms of organic ligands on the structural evolution of phosphogypsum-derived MOFs remain unclear, and their synergistic effects on electricity generation performance are often overlooked. In this work, three Ca-MOF (i.e., Ca-BDC, Ca-BTC, and Ca-BTEC) were synthesized from phosphogypsum using a room-temperature solution-stirring method. These materials were then fabricated into Ca-MOF generators for water-evaporation-induced electricity generation. Owing to its excellent ion transport capability, the Ca-BDC generator delivers the continuous high voltage of 310 mV and the current output of 5.78 μA, ranking as one of most efficient MOF generators. Molecular dynamics simulations combined with Connolly surface analysis reveal that a higher carboxyl group content in ligands synergistically regulates the surface density of oxygen-containing functional groups and the pore interconnectivity of MOFs. This in turn influences selective ion transport behavior and electricity generation performance. The study further elucidates the synergistic mechanism underlying ligand engineering in MOF-based power generation, offering novel design insights and establishing a sustainable pathway for phosphogypsum valorization.

Keywords: phosphogypsum, metal-organic framework, sustainable upcycling, water- evaporation-induced electricity generation, ligand regulation