Borocarbonitride Catalyzed Ethylbenzene Oxidative Dehydrogenation: Activity Enhancement via Encapsulation of Mn Clusters inside the Tube

In this study, a groundbreaking hybrid catalyst is developed, featuring BCN nanotubes (BCNNTs) encapsulated with manganese (Mn) clusters, crafted through a meticulous supramolecular self-assembly and postcalcination strategy. This novel catalyst demonstrates a remarkable enhancement in activity, achieving 30% conversion and ≈100% selectivity toward styrene in ethylbenzene ODH reactions. Notably, its performance surpasses both pure BCNNTs and those hosting Mn nanoparticles. Structural and kinetic analyses unveil a robust interaction between BCNNTs and the Mn component, substantially boosting the catalytic activity of BCNNTs. Furthermore, density functional theory (DFT) calculations elucidate that BCNNTs encapsulated with Mn clusters not only stabilize key intermediates (─B─O─O─B─) but also enhance the nucleophilicity of active sites through electron transfer from the Mn cluster to the BCNNTs. This elec tron transfer mechanism effectively lowers the energy barrier for ─C─H cleavage, resulting in a 13% improvement in catalytic activity compared to pure BCNNTs.
Source: Small - Category: Nanotechnology Authors: Tags: Research Article Source Type: research