A molecular dynamics study on the thermal properties of two-dimensional C2N carbon nitride nanosheets

Article Type:
Research/Original Article (دارای رتبه معتبر)
Porous, two-dimensional and monolayer carbon nitride in the form of C2N is a new material that is recently synthesized and has drawn attentions of researchers in nanoscience due to its interesting properties. In the current study, thermal properties of this material is investigated using molecular dynamics simulations. The effect of different lengths from 10 to 200 nm and over temperatures ranging from 200 to 600 K on the thermal conductivity are explored. The results show that the thermal conductivity of the structure is strongly dependent on the length and its temperature in that it increases by increasing the length and decreasing the temperature of the structure. Also, the thermal conductivity of the structure was investigated under both uniaxial and biaxial strains. It was interestingly observed that unlike similar 2D structures such as graphene, the thermal conductivity first increases up to strain values of 12% and 4%, respectively for uniaxial and biaxial strains which then falls to lower values than that of the strain-free counterpart. Further analysis showed that a decrease in the wrinkling of the structure occurs up to the above-mentioned strains resulting in smoothening of the structure and increment in the thermal conductivity as a result.
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