Haoyi Sun

Organic Molecules for Photothermal Therapy in the Second Near-Infrared Window: Theoretical Exploration of Selenium Atomic Incorporation and Ethynyl-bridged Dual-Acceptor Strategy

The demand for efficient organic small-molecule photothermal agents (OSMPTAs) in the second near-infrared (NIR-II) window is critical for deep-tissue photothermal therapy. Using DFT and TDDFT, we investigated the impact of selenium (Se) incorporation and an ethynyl-bridged dual-a...