摘要： The narrow absorption and emission bands, long fluorescence lifetime, and excellent stability of rare earth nanoparticles (referred to as RE NPs) make them very attractive for multimodal imaging and therapy of cancer. Their narrow absorption requires the careful selection of laser wavelength to achieve the best performance, particularly for RE NPs simultaneously having photothermal and photoluminescent properties (e.g. Nd-based nanoparticles), which has not been investigated. Herein we prepared a series of different sized NaNdF4 nanoparticles (referred to as NNF NPs) (i.e. 4.7, 5.9, 12.8, and 15.6 nm) from ultra-small nanoclusters and investigated their in vitro and in vivo size-dependent photothermal conversion and photoluminescence under irradiation by a 793 nm laser and an 808 nm laser, respectively. We find that all nanoparticles exhibited the better photothermal conversion performance under the irradiation of the 808 nm laser than under the 793 nm laser, of which 12.8 nm NNF NPs showed the best performance, and the temperature of their solution can be quickly increased from 30 ℃ to around 60 ℃ within 10 min under the irradiation of the 808 nm laser with a power intensity of 0.75 W/cm2. When we used the 793 nm laser to excite these NNF NPs, we find that all nanoparticles exhibited the stronger photoluminescence in the second near-infrared window (NIR-Ⅱ) than under the excitation by the 808 nm laser, of which 15.6 nm NNF NPs possessed the strongest NIR-II luminescence. We then modified 12.8 nm NNF NPs with phospholipid carboxyl PEG and functionalize with RGD for actively targeted imaging of cancer. The NaNdF4@PEG@RGD nanoparticles (referred to as NNF-P-R NPs) have good biocompatibility, stability and excellent targeting capability. The in vivo result show that 12.8 nm NNF NPs exhibited better photothermal conversion performance under the irradiation of the 808 nm laser, and stronger NIR-Ⅱ fluorescence under irradiation of the 793 nm laser, which is consistent with in vitro result. This work demonstrates the significance of selection of proper laser wavelength for maximally taking advantage of RE nanoparticles for the diagnosis and treatment of cancer.