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- W2000963913 abstract "We investigated the effects of boron atoms substitution on the thermal conductivity and mechanical properties of single-layer graphene using the non-equilibrium molecular dynamics (NEMD) simulations. By performing the uniaxial tension simulations, we observed that substituted boron atoms slightly decrease the elastic modulus and tensile strength of graphene. On the other hand, it was observed that only 0.75% concentration of boron atoms in graphene reduces the thermal conductivity of graphene by more than 60% and leads to vanishing chirality effect." @default.
- W2000963913 created "2016-06-24" @default.
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- W2000963913 date "2012-08-01" @default.
- W2000963913 modified "2023-10-17" @default.
- W2000963913 title "Molecular dynamics study on the thermal conductivity and mechanical properties of boron doped graphene" @default.
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- W2000963913 doi "https://doi.org/10.1016/j.ssc.2012.04.048" @default.
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