Induced Hydroxylation on Exfoliated Boron Nitride: Photocatalytic and Adsorptive Properties

Hexagonal boron nitride (h-BN) is a chemically stable two-dimensional material whose wide band gap and low surface reactivity limit its performance in adsorption and photocatalysis, motivating strategies to tailor its structure. In this work, a mechanochemical approach combining high-energy ball milling with NaOH-assisted treatment was used to induce simultaneous exfoliation and hydroxylation of h-BN, promoting defect generation, reduced crystallinity, interlayer expansion, and incorporation of oxygen-containing groups (B-OH and B-O). These modifications led to band gap narrowing, increased surface polarity, and improved dispersion, enabling the formation of heterogeneous active sites. The hydroxylated material (BN-OH) exhibited high adsorption capacities of 248 mg/g for methylene blue (MB) and 215 mg/g for rhodamine 6G (R6G), following Freundlich behavior, indicative of heterogeneous adsorption governed by electrostatic interactions, π–π stacking, hydrogen bonding, and defect-mediated sites. Under solar irradiation, BN-OH achieved up to 99% degradation of both dyes, following predominantly pseudo-first-order kinetics and outperforming pristine BN; additionally, the kinetic behavior under solar conditions was successfully described using the Behnajady–Modirshahla–Ghanbary (BMG) model, which accurately predicts the two-stage degradation process. Scavenger experiments revealed that ⦁OH radicals dominate MB degradation, while ⦁OH, O2⦁−, and h+ contribute to R6G removal. Overall, defect engineering and hydroxyl functionalization synergistically enhance photocatalytic performance, providing a scalable strategy for wastewater treatment.