A Theoretical and Computational Study of H${}_2$ Physisorption on Covalent Organic Framework Linkers and Metalated Linkers: A Strategy to Enhance Binding Strength

Nilima Sinha, Srimanta Pakhira

Hydrogen is deemed as an attractive energy carrier alternative to fossil fuels, and it is required to store for many applications. Physisorption is one of the promising ways to sto…