A first-principles investigation of PH3 gas adsorption on the graphitic carbon nitride sheets modified with V/P, Nb/P, and Ta/P elements

The adsorption characteristics of phosphine (PH3) gas on the Nb‒, V‒, Ta‒embedded, P‒doped, and also Nb/P‒, Ta/P‒, and V/P‒modified heptazine graphitic carbon nitride (hgCN) materials were theoretically studied. The results demonstrated that the adsorption of PH3 on these systems causes changes in t...

Ausführliche Beschreibung