Abstract

Within the framework of stochastic reactive molecular dynamics simulations we develop a statistical method for generating fluorinated graphene structures with desirable fluorine distribution. Electronic transport properties of fluorinated graphene in a wide range of functionalization degree and system ordering are investigated. We have found a strong correlation between irregularities in fluorine distribution and electronic properties. In particular, proposed consideration allows us to reproduce both the experimentally observed electron-hole asymmetry in transport properties of fluorinated graphene and a recently revealed conductivity peak at 10 % fluoride content.

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