Rational Design of Multifunctional Fe@γ‐Fe2O3@H‐TiO2Nanocomposites with Enhanced Magnetic and Photoconversion Effects for Wide Applications: From Photocatalysis to Imaging‐Guided Photothermal Cancer Therapy

Abstract Titanium dioxide (TiO 2 ) has been widely investigated and used in many areas due to its high refractive index and ultraviolet light absorption, but the lack of absorption in the visible–near infrared (Vis–NIR) region limits its application. Herein, multifunctional Fe@γ‐Fe 2 O 3 @H‐TiO 2 nanocomposites (NCs) with multilayer‐structure are synthesized by one‐step hydrogen reduction, which show remarkably improved magnetic and photoconversion effects as a promising generalists for photocatalysis, bioimaging, and photothermal therapy (PTT). Hydrogenation is used to turn white TiO 2 in to hydrogenated TiO 2 (H‐TiO 2 ), thus improving the absorption in the Vis–NIR region. Based on the excellent solar‐driven photocatalytic activities of the H‐TiO 2 shell, the Fe@γ‐Fe 2 O 3 magnetic core is introduced to make it convenient for separating and recovering the catalytic agents. More importantly, Fe@γ‐Fe 2 O 3 @H‐TiO 2 NCs show enhanced photothermal conversion efficiency due to more circuit loops for electron transitions between H‐TiO 2 and γ‐Fe 2 O 3 , and the electronic structures of Fe@γ‐Fe 2 O 3 @H‐TiO 2 NCs are calculated using the Vienna ab initio simulation package based on the density functional theory to account for the results. The reported core–shell NCs can serve as an NIR‐responsive photothermal agent for magnetic‐targeted photothermal therapy and as a multimodal imaging probe for cancer including infrared photothermal imaging, magnetic resonance imaging, and photoacoustic imaging.