Abstract
MoS2/graphene, as a promising composite candidate of lithium anode, is widely used because of high capacity and high capability of rate. The hetero interface of MoS2/graphene plays a critical role on its electrochemical performance. In this paper, first principles investigations are conducted to study the details of the DOS, band structure, electron density of MoS2 / graphene hetero junction by first principles calculations, which prove that this system is promising to be used in lithium batteries, gas sensors and other domains, for example, like super capacitors and catalysis.
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