A scalable and low‐cost metal–organic framework synthesized under ambient conditions for benchmark
CO
2
capture
Peixin Zhang, Chaoming Hu, Zhenglong Zhu, Zhenwei Zhou, Hao Wang, Jingwen Chen, Shixia Chen, Zhenyu Zhou, Shuguang Deng, Jun Wang Abstract
The practical application of metal–organic frameworks (MOFs) for CO 2 capture requires balancing high efficiency, cyclability, and scalable production. Herein, we report a novel MOF adsorbent, Cu 3 (ntrz) 2 (ox) 2 , which allows for low‐cost and scalable synthesis in aqueous solutions under ambient conditions. Its tailored large pocket‐like cavities interconnected by narrow pore apertures provide exceptional CO 2 adsorption capacities of 6.80 and 3.48 mmol g −1 at 1.0 bar and 0.15 bar (298 K), achieving a record‐high VPSA working capacity of 5.03 mmol g −1 within 0.05–1.0 bar. Shaped pellets retain 95% CO 2 adsorption capacity and good mechanical strength, fulfilling industrial requirements. Experimental VPSA analysis demonstrates that a 15% CO 2 gas‐stream can be enriched to 91.37% and 95.06% with productivities of 0.402 and 1.86 m 3 t −1 h −1 within 0.08–1.0 bar and 0.08–6.0 bar, outperforming zeolite 13X. The adsorption behaviors and mechanisms are elucidated via Grand Canonical Monte Carlo and dispersion‐corrected density functional theory simulations.