Enhanced Photocatalytic H 2 Evolution Performance of CdS via Surface Hydroxyl Functionalized Ti 3 C 2

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Photocatalytic technology is considered a critical pathway for hydrogen production due to its green and sustainable nature. However, conventional CdS photocatalyst generally suffer from sluggish catalytic kinetics in the hydrogen evolution reaction, which significantly restricts the enhancement of photocatalytic efficiency and practical applications. Herein, the hydrophilicity of CdS/Ti 3 C 2 ‐T has been greatly enhanced by surface modified MXenes (Ti 3 C 2 ‐T) with hydroxyl (‐OH) active groups as cocatalysts, promoting the adsorption of water molecules. Meanwhile, the hydroxyl (‐OH) surface modification plays important role in Fermi level of Ti 3 C 2 ‐T, resulting in the formation of ohmic junction between CdS and Ti 3 C 2 ‐OH. Mechanistic analyses via theoretical simulations reveal that the interfacial ohmic junction drives efficient charge separation and transfer through the intrinsic built‐in electric field. The CdS/Ti 3 C 2 ‐OH hybrids possess an outstanding H 2 evolution rate with 5.42 mmol g −1 h −1 ), which is higher than those of CdS/Ti 3 C 2 ‐F and CdS/Ti 3 C 2 ‐O, and 6.8 folds of pristine CdS, respectively. This work presents a strategy for improving hydrogen evolution reaction kinetics through surface modification of photocatalysts, therefore boosting the charge separation.