Research Projects

The transition to carbon-neutral energy demands efficient hydrogen production, with electrocatalytic water splitting emerging as a sustainable approach. However, its practical application is hindered by the lack of earth-abundant, stable, and highly active electrocatalysts for both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Single-Atom Catalysts (SACs) have recently gained attention as a novel catalyst system due to their unique atomic dispersion, offering nearly complete metal utilization, exceptional activity, and stability. Yet, stabilizing these isolated atoms remains a challenge due to their high surface energy and tendency to aggregate. While graphene has been widely explored as a 2D support for SACs, its zero bandgap limits its effectiveness in catalytic systems requiring electronic modulation. In contrast, boron-based 2D materials, specifically borophene and hexagonal boron nitride nanosheets (h-BNNSs), offer superior alternatives. Borophene provides metallic conductivity and tunable bandgap ideal for supporting HER-active SACs, while h-BNNSs combine high chemical stability and wide bandgap, making them suitable for anchoring OER-active sites. Despite their complementary properties, the integration of SACs with borophene and h-BNNSs for efficient, bifunctional electrocatalysis remains underexplored, offering a promising route for next-generation water-splitting technologies. Scientific Objectives 1. Synthesize high-quality borophene and h-BNNSs using scalable, green, and cost-effective methods. 2. Anchor isolated single atoms onto the BNs with precise atomic dispersion and strong metal-support interactions. 3. Characterize the structural, electronic, and chemical properties of the synthesized SAC@B-2D hybrid materials. 4. Evaluate the electrocatalytic performance of the SAC@B-2D system for HER, OER, and overall water splitting. 5. Investigate the fundamental reaction mechanisms and atomic-level structure-activity relationships through advanced characterization techniques and density functional theory (DFT) simulations. Fundamental Scientific Significance: • Establishing a detailed understanding of SAC-support interactions in boron-based 2D materials at the atomic level. • Unraveling the electronic structure modulation and charge transfer mechanisms induced by SAC anchoring. • Providing atomic-scale insights into the reaction mechanisms governing HER and OER activity on SAC@B-2D systems. • Demonstrating the potential of borophene and h-BNNSs as complementary, tunable, and stable supports for advanced electrocatalysis. Technological Significance: • Development of a robust, bifunctional, and scalable electrocatalyst system for overall water splitting. • Achievement of high catalytic activity, low overpotentials, and long-term operational stability surpassing current benchmarks. • Advancement of low-cost, earth-abundant catalyst systems, reducing dependence on noble metals.