Atmospheric pollution poses a significant threat to both the environment and public health, with its impact being felt on a global scale. From the smog that engulfs urban areas to the invisible yet toxic gases emitted by industrial activities, the quality of the air we breathe is increasingly compromised. The urgency for innovative solutions has never been greater, and this is where advanced materials, such as metal-organic frameworks (MOFs), prove crucial.

      In our research, we have focused on a robust pyrazolate MOF, BUT-78 (Figures 1a–1c). BUT-78 is a highly stable MOF with exceptional selectivity and adsorption capacity, making it an ideal candidate for capturing and neutralizing harmful gases like benzene (Figure 1d) and sulfur dioxide (SO₂). These pollutants, though often present in trace amounts, have a disproportionately large impact on air quality and public health, underscoring the need for efficient capture. 

Figure 1. (a) Ni₄Pz₈ cluster. (b) BPTP^4– ligand. (c) Framework structure (color code: H, white; C, black; N, blue; and Ni, green). (c) Benzene adsorption isotherms at 298 K (inset illustrates the 0~1.0 kPa region). (e) Comparison of dynamic benzene and SO₂ capture performance between BUT-78 and some leading sorbents at 30% RH. DFT calculated binding sites for (f) benzene and (g) SO₂ (color code: H, white; C, black; N, blue; O, red; S, yellow; and Ni, green).

     The unique structure of BUT-78, characterized by its large surface area and appropriately sized pores, enables it to selectively adsorb benzene and SO₂, thus preventing their release into the atmosphere. The remarkable performance of BUT-78 is attributed to its strong interaction with pollutant molecules at the molecular level, particularly around its Ni₄Pz₈ clusters. These interactions, primarily involving hydrogen bonding and electrostatic forces (Figures 1f and 1g), allow BUT-78 to effectively trap these hazardous substances, even under humid conditions (Figure 1e), making it a promising candidate for real-world applications in industrial filtration and air purification systems. Additional details about this work can be found in Nature Communications, doi: 10.1038/s41467-024-51522-3.

     For several years, our research group has been dedicated to the development of MOF-based air purifiers (website: mof.bjut.edu.cn). By leveraging the diverse structural characteristics of MOFs, we have systematically evaluated the adsorption and removal efficiency of these porous materials for benzene compounds, uncovering the structure-performance relationships and elucidating the adsorption mechanisms. This research has led to the design and synthesis of several novel materials that demonstrate outstanding performance in adsorbing and removing trace benzene compounds from the air. Furthermore, our team has reported on the catalytic decomposition of ozone and the adsorption and removal of VOCs using bimetallic MOFs. Looking ahead, we will continue to explore and develop new materials with a focus on green, energy-efficient, low-carbon, and environmentally friendly solutions. Our goal is to optimize performance, enhance processes, and advance the practical applications of these materials.