MXenes/graphene heterostructures for Li battery applications: a first principles study

作者: Yierpan Aierken , Cem Sevik , Oğuz Gülseren , François M. Peeters , Deniz Çakır

DOI: 10.1039/C7TA09001C

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摘要: MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M= Sc, Ti, V and X= OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking …

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