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Cite this article as: Yi Dan,Li Lai-Cai. Investigation on fluorescence properties of Graphene and its doped quantum dots [J]. J. At. Mol. Phys.(原子与分子物理学报), 2020, 37: 59 (in Chinese)
Investigation on fluorescence properties of Graphene and its doped quantum dots
Hits 161  Download times 50  Received:February 19, 2019  Revised:March 20, 2019
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Key Words   GQDs  Optical proterty  Density functional theory  First-principles
Author NameAffiliationE-mail
Yi Dan 电子科技大学成都学院  
Li Lai-Cai 四川师范大学化学与材料学院 liline33@sohu.com 
Abstract
    The structures of graphene、B atom was doped in edge position、B atom was doped in middle position、N atom was doped in edge position, and N atom was doped in middle position of graphene were calculated by density functional theory (DFT), the electronic structure and optical properties of five kinds of quantum dots were studied . The results showed that Graphene quantum dots rely on a substrate to absorb the excitation energy, Doped atoms will narrow the forbidden band, increase Fermi energy level and red shift emission spectrum , doping the electron donor atom, the LUMO level and the HOMO level will rise, and doping the electron acceptor atom, it leads result that LUMO energy levels rise, and HOMO energy level decrease . Compared with the edge doping, the red shift is more obvious in the middle position.

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