Daping Qiu,Min Li,Cuihua Kang,Jinying Wei,Feng Wang,Ru Yang
The intrinsic properties of carbon-based material and the voltage window of electrolyte are the two key barriers to restrict the energy density of carbon-based supercapacitors (SCs). Herein, a cucurbit[6]uril-derived nitrogen-doped hierarchical porous carbon (CBC x ) with unique pore structure characteristics is synthesized and successfully applied to construct SCs based on different electrolyte systems. Owing to narrow pore size distribution (0.5–4 nm), colossal ion-accessible pore volume, prominent supermesopore volume, and reasonable heteroatom configuration, the CBC x -based SCs demonstrate excellent electrochemical performances with high operating voltages in two distinct systems. The optimal SCs can output a maximum energy/power density of 18 Wh kg −1 (11.1 Wh L −1 )/20 kW kg −1 (12.3 kW L −1 ) with an operating voltage of 1.2 V in potassium hydroxide aqueous electrolyte, as well as an ultralong cycle life of up to 50 000 cycles (0.046% decay per 100 cycles). Furthermore, the optimal SCs deliver an exceptionally high energy/power density of 95 Wh kg −1 (58.4 Wh L −1 )/70 kW kg −1 (43 kW L −1 ) with an ultrahigh operating voltage of 3.5 V in 1-ethyl-3-methylimidazolium tetrafluoroborate electrolyte. This work opens up a new application field for cucurbit[6]uril and provides an alternative avenue for optimizing the performances of carbon-based materials for SCs.
Huiming Qi,Li Zhang,Mingchao Zhang,Liya Ma,Qiang Gao,Fuzhen Jiang,Delin Qi,Shubo Deng,Wei Wang
Understanding the molecular factors that govern the adsorption of pharmaceutical and personal care products (PPCPs) on carbon nanotubes (CNTs) is essential for designing highly efficient porous adsorbents. We hypothesize that adsorbent pore and adsorbate size matching is the dominant factor controlling the adsorption process. Therefore, this study examined the effects of the molecular size of PPCPs and pore size of CNTs on the adsorption performance using the combination of experiments and molecular dynamics simulations. The results show that the adsorption capacity of unit specific surface area increased with increasing both the molecular size of PPCPs and the pore size of CNTs. In the coexisting system, adsorption capacity declined with decreasing molecular size, showing negative correlation (R²=0.842). This indicates that small PPCPs are more vulnerable to competitive inhibition, whereas larger molecules exhibit stronger resistance to competition and maintain more stable adsorption capacities in complex media. Molecular dynamics simulation revealed that the interaction between CNTs and PPCPs was mainly dominated by van der Waals forces, with larger-sized molecules showing higher binding energy and being more likely to occupy adsorption sites on CNTs. These findings not only reveal the internal relationship between the pore size of sorbents and their adsorption capacity, but also provide an important theoretical basis and practical guidance for optimizing PPCPs removal strategies.