Rapid Discovery of TiO 2 /ZnFe 2 O 4 /Cu Ternary Photocatalysts for Volatile Organic Compounds Degradation via High‐Throughput Screening Photogenerated Carriers Transfer Properties

ABSTRACT Photocatalytic degradation of volatile organic compounds (VOCs) offers a sustainable strategy for air purification; however, developing efficient photocatalysts is limited by trial‐and‐error methods due to complex composition–structure–performance relationships. To address this, this work identifies charge carrier transport, a key microscopic process governing photocatalytic efficiency, and proposes a high‐throughput characterization‐based screening strategy using this descriptor. A compositional gradient thin‐film library in the TiO 2 /ZnFe 2 O 4 /Cu system is fabricated via inclined gradient sputtering, enabling continuous composition variation on one sample. High‐throughput Hall effect measurements map carrier mobility across the library, rapidly identifying the composition (TiO 2 ) 58 (ZnFe 2 O 4 ) 31 (Cu) 11 with superior charge transport properties. The same composition powder catalyst is synthesized and achieve 82.9% toluene degradation within 4 h under 30% relative humidity, confirming the screening effectiveness. A strong correlation between the photocatalytic degradation performances of thin films and the corresponding powder catalysts (Spearman r = 0.94) confirms that catalytic activity trends are maintained across material forms, thereby validating the transferability of the thin‐film screening results to practical powder catalysts. By bridging high‐throughput thin‐film libraries with practical powder catalysts, this work establishes a transferable screening framework that links charge transport properties with photocatalytic performance, providing a general pathway for accelerated discovery of photocatalytic materials beyond conventional trial‐and‐error approaches.