Rapid Room-Temperature Functionalization of Boron Nitride via Catalytic Hydrosilane Grafting: Surface Engineering and Mechanistic Insights

• • The catalytic grafting reaction occurs at room temperature, enabling rapid functionalization without energy-intensive heating, thus preserving h-BN's structural integrity. • • DFT calculations identify two distinct reaction pathways (backside-attack and flank-attack), providing mechanistic insights that guide catalyst design for optimized grafting efficiency. • • Hydrosilane-modified h-BN demonstrates significantly enhanced dispersibility in low-polarity solvents, directly addressing the aggregation problem that hinders uniform dispersion in polymer matrices. • • The method offers tunability of surface properties, allowing tailored interfacial interactions for specific composite applications, potentially improving thermal conductivity and mechanical reinforcement.