First DFT/TD-DFT computational study of the second and third order nonlinear optical responses of M@b66/64Al12N12 (M = 3d metal). Resonance energy and oscillator strength bolster the dynamic first hyperpolarizability of the nanoparticles.
The combination between photochromic, NLO responses, and RAHB.
We report a piperazine-assisted superexchange coupling mechanism that facilitates an efficient long-range electron transfer, thereby boosting the generation of superoxide radicals (O2−˙) and hydroxyl radicals (˙OH).
The porous structure of 2D carbon nitride effectively disperses and stabilizes mobile Co atoms originating from nanoparticles during the OER, resulting in significantly enhanced catalytic activity over time.
This work presents a novel approach for the design and the stabilization of cobalt oxide nanoparticles supported on g-C3N4 (CoCN-x) catalyst to efficiently degrade various organic pollutants through peroxymonosulfate (PMS) activation.