Enhancement of Thermal Energy Transport across the Gold–Graphene Interface Using Nanoscale Defects: A Molecular Dynamics Study
Enhancement of Thermal Energy Transport across the Gold–Graphene Interface Using Nanoscale Defects: A Molecular Dynamics Study
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DOI：
10.1021/acs.jpcc.7b09643
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发表时间：
2018-01
影响因子：
3.7
通讯作者：
Sadanandam Namsani;J. Singh
中科院分区：
文献类型：
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作者：
Sadanandam Namsani;J. Singh
石墨烯-金属纳米复合材料是解决纳米级电子和计算设备散热问题的有前途的材料。金属和石墨烯接触之间的低电阻界面对于高效纳米器件的开发至关重要。在这个方向上，我们使用分子动力学（MD）模拟研究了不同厚度石墨烯层和温度下金-石墨烯界面的热导（TC）。发现TC随着石墨烯层数从一层增加到三层而降低。进一步增加层数对TC没有影响。还发现 TC 在 50 至 300 K 范围内随温度单调增加。然而，超过 300 K 时温度对 TC 没有影响。为了提高 TC 值，我们研究了各种缺陷尺寸和缺陷密度下缺陷介导的金-石墨烯界面中的热传输。发现TC随着...的增加而显着增加。
Graphene–metal nanocomposites are promising materials to address the heat dissipation problems in nanoscale electronic and computing devices. A low resistance interface between metal and graphene contact is crucial for the development of highly efficient nanodevices. In this direction, we have investigated the thermal conductance (TC) across the gold–graphene interface for various thicknesses of the graphene layer and temperatures using molecular dynamics (MD) simulations. The TC is found to decrease with the increase in graphene layer number from one to three. Further increase in the number of layers has no effect on the TC. The TC is also found to increase monotonously with the temperature in the range from 50 to 300 K. However, there is no effect of temperature on TC beyond 300 K. In order to enhance the TC value, we have investigated the thermal transport in the defect mediated gold–graphene interface for various defect sizes and defect densities. TC is found to increase significantly with the increas...