As the global energy crisis,nowadays,capturing solar energy is an appealing solution because of its green and endless.Graphene or defect graphene and their doped derivations have been proposed to play a very important role in solar cell devices.[1-4] Here,5-8-5 defected graphene(DG)was built and doped with TCNQ and FTCNQ.All the geometries were fully optimized by DFT/GGA-PBE method with the DNP 4.4 basis including TS correction[5] in Material Studio 6.0 software.The optimized crystal lattice of DG is slightly altered comparing to the pristine graphene and bent with a angle about 9.66° similar to other topological DGs.[6] The UV-visible light absorption spectrum of DG is range from 300 to 750 nm.While the absorption of DG-TCNQ and DG-FTCNQ,in the infrared range from 750 to 1200 nm,are enhanced which may due to the CN group participates in the electron transition,Fig.1.Mulliken charge analysis shows that charge transfer from DG to TCNQ and FTCNQ are about 0.465 and 0.641 e,respectively.The highest occupied band(HOB)of DG-TCNQ and DG-FTCNQ get flat and close to the Femi level near gamma point than DG,indicating the electron effective masses at G point are close to infinity which is helpful to light absorption.The wide range absorption from violet to infrared light of DG-TCNQ and DG-FTCNQ implies that they can be used to solar energy harvesting.At last,ours work gives a theoretical guide to the application of non-covalent functionalized DG in solar cell materials.