【摘 要】
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Lithium ion batteries(LIBs)have wide application in the communication and transportation with high energy density,flexible and lightweight design,and long l
【机 构】
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Key Laboratory of Materials Modification by Laser,Ion and Electron Beams,Dalian University of Techno
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Lithium ion batteries(LIBs)have wide application in the communication and transportation with high energy density,flexible and lightweight design,and long lifespan [1].Anode materials play an important role in determining the performance of LIBs.An attempt of graphene(GR)/metal oxide (MO)composite in experiment is a remarkable idea which possesses excellent electrochemical performance [2].We performed density functional theory(DFT)to explore the interaction between GR and MO.Our result point out that a weak Van der Waals exists between GR and several MOs (including ZnO,Co3O4,NiO).Moreover,when metal and semiconductor are joined in a heterojunction,the Schottky barrier height(SBH)is of great technological important.We investigated the SBH using the macroscopically averaged electrostatic potential as an intrinsic energy scale to refer all the energy[3],our result revealed that the SBH is <1 eV,showing a low contact barrier.
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