Atomically Precise Clusterzymes: A Programmable Optoelectronic Platform for Neuroscience

Abstract Atomically precise metal clusters, characterized by their well‐defined structures, have emerged as a versatile platform for energy, catalysis, and biomedicine. Building upon this foundation, the biocatalytic clusterzymes, a class of artificial enzymes with atomic‐level programmable activity and renal‐excreted properties, have successfully overcome the stability limitations of natural enzymes and biosafety concerns of conventional nanomaterials. This review systematically examines the synthesis, engineering principles, and applications of this programmable platform. First an in‐depth analysis of the strategies is provided for programming biocatalytic or enzyme‐like activity of metal clusters via atomic and ligand engineering. Meanwhile, infrared emissive metal clusters with tunable electronic structure and optical properties at the atomic level allow to achieve the pathological progression and clinical 3D visualization in deep tissue. Furthermore, semiconductor gold clusters with rich electron carriers can enhance the interface charge transfer between the metal electrode and surface molecular clusters, achieving highly sensitive neuron recording for an efficient brain computer interface. The clusters demonstrate great potential in neuroscience, including neuroinflammation, bioimaging, and neuromodulation. Finally, future challenges are outlined for the rational design and translational development of this programmable platform, poised to address complex challenges in biomedicine.