Improved luminescence and photocatalytic properties of Sm^(3+)-doped ZnO nanoparticles via modified sol-gel route:A unified experimental and DFT+U approach  

作　　者：Sikder Ashikuzzaman Ayon Sajjad Hasan Md Muktadir Billah Sadiq Shahriyar Nishat Alamgir Kabir 

机构地区：[1]Department of Materials and Metallurgical Engineering,Bangladesh University of Engineering and Technology,Dhaka,1000,Bangladesh [2]Department of Physics,Bangladesh University of Engineering and Technology,Dhaka,1000,Bangladesh [3]Department of Materials Science&Engineering,Rensselaer Polytechnic Institute(RPI),NY,12180,USA [4]Department of Physics,University of Dhaka,Dhaka,1000,Bangladesh

出　　处：《Journal of Rare Earths》2023年第4期550-560,共11页稀土学报（英文版）

摘　　要：In the current study,a modified sol-gel route was used to produce undoped and Sm^(3+)doped(1 mol%,3 mol%and 5 mol%)ZnO nanoparticles(NPs).The study of opto-structural properties of Sm^(3+)doped NPs was carried out both experimentally and theoretically.Complete dissolution of Sm^(3+)ions into the ZnO lattice is obviously seen from X-ray diffraction(XRD)analysis.Morphological evolution with doping was studied using field emission scanning electron microscopy(FESEM)and transmission electron microscopy(TEM).X-ray photoelectron spectroscopy(XPS)was carried out to confirm the prese nce of Sm~(3+)on the doped NPs.Increasing dopant quantity results in a redshift of the NPs along with a reduction in bandgap with increasing abso rption in the visible range,and a minimum of 3.18 eV of optical bandgap for Zn_(0.97)Sm_(0.03)O is found.Photoluminescence spectroscopy reveals a drop in the recombination rate of electron-hole with increasing doping content till 3 mol%,followed by an increase of Zn_(0.95)Sm_(0.05)O.Photogenerated electron-hole pair recombination is revealed by the orange band in the luminescence spectra.Theoretical analysis was also carried out with density functional theory(DFT).This work also unfolds the fundamental understanding of the structural properties of the synthesized NPs to enhance photocatalytic activity successfully.Later,photocatalytic activity for the optimum composition,i.e.,3 mol%,was assessed experimentally.

关 键 词：SAMARIUM XPS Recombination rate PHOTOCATALYTIC First principle Defect state 

分 类 号：O643.36[理学—物理化学] O644.1[理学—化学]