Research on NiMoTi alloy thin film hydrogen evolution catalysts via high-throughput screening using total internal reflection imaging

Abstract

As a clean and efficient energy carrier, hydrogen has garnered significant attention in the global energy transition. However, conventional hydrogen production methods relying on fossil fuels generate substantial carbon emissions, which conflicts with green development principles. Electrochemical water splitting, recognized for its environmental friendliness, is regarded as an ideal alternative. Nevertheless, the lack of efficient and low-cost hydrogen evolution reaction (HER) catalysts remains a critical bottleneck for its widespread adoption. Consequently, accelerating the development of non-noble metal alloy catalysts has become a research priority. Existing catalyst screening approaches suffer from limitations such as low throughput and insufficient accuracy, failing to meet the demand for efficient evaluation. Previous studies have demonstrated that total internal reflection imaging (TIRi) technology can effectively detect the onset overpotential distribution of HER activity on electrode surfaces, providing a visual mapping of catalytic performance. This study introduces a high-throughput screening strategy by advancing large-area TIRi technology. This approach enables the high-throughput evaluation of HER activity across gradient composition-distributed NiMoTi alloy thin-film materials, establishing a composition–performance correlation model to rapidly identify optimal catalysts. The results reveal that the Ni_0.41Mo_0.45Ti_0.14 composition exhibits the highest HER performance, achieving an onset overpotential of −0.21 V. The proposed TIRi-based high-throughput detection technique offers a powerful tool for rapid screening and performance optimization of water-splitting catalysts, providing novel insights and methodologies for advancing the development of efficient and cost-effective catalysts.