Title: 

Multi-Binding Sites United in Covalent-Organic Frameworks (MSUCOF) for H2 Storage and Delivery at Room Temperature

Year of Publication:

2023

Authors:

Marcus Djokic, Jose L Mendoza-Cortes

Journal:

Energy & Fuels

Abstract:

The storage of hydrogen gas (H₂) has presented a significant challenge that has hindered its use as a fuel source for transportation. To meet the Department of Energy’s ambitious goals of achieving 50 g L^–1 volumetric and 6.5 wt % gravimetric uptake targets, material-based approaches are essential. Designing materials that can efficiently store hydrogen gas requires careful tuning of the interactions between gaseous H₂ and the surface of the material. Metal–organic frameworks (MOFs) and covalent-organic frameworks (COFs) have emerged as promising materials due to their exceptionally high-surface areas and tuneable structures that can improve gas-framework interactions. However, weak binding enthalpies have limited the success of many current candidates, which fail to achieve even 10 g L^–1 volumetric uptake at ambient temperatures. To overcome this challenge, we utilized quantum mechanical (QM …

URL:

https://pubs.acs.org/doi/abs/10.1021/acs.energyfuels.3c04075