Adsorption, sensing and catalytic properties of the pristine C24N24 nanocage to small gas molecules: A DFT-D3 investigation
The carbon nitride nanocage (CNNC), which is new nanomaterial, has potential to adsorb a range of simple gasses onto either nitrogen site or carbon site. Adsorption of different gases on CNNC will have different adsorption energies. The high adsorption energies indicate the high stability of complexes that exhibit the potential …







