Tuning the thermal conductivity of graphene nanoribbons by edge passivation and isotope engineering: A molecular dynamics study
By Jiuning Hu, Stephen Schiffli, A. Vallabhaneni, X. Ruan, Yong P. Chen. 2010
159 citations recorded by the source corpus.
Using classical molecular dynamics simulation, we have studied the effect of edge-passivation by hydrogen (H-passivation) and isotope mixture (with random or superlattice distributions) on the thermal conductivity of rectangular graphene nanoribbons (GNRs) (of several nanometers in size). We find that the thermal conductivity is considerably reduced by the edge H-passivation. We also find that the isotope mixing can reduce the thermal conductivities, with the superlattice distribution giving rise to more reduction than the random distribution. These results can be useful in nanoscale engineering of thermal transport and heat management using GNRs.
Subfields: Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/098b9b1fb1d781193beaf36e69bbf0fc6e42960a
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In Materials Chemistry
- Baowen Li
- Xiaokun Gu
- Xiaobo Yin
- Yujie Wei
- Ronggui Yang
- Alexander A. Balandin
- Gang Zhang
- Yong‐Wei Zhang
Citations in the corpus
- Colloquium: Phononic thermal properties of two-dimensional materials (2017, background): “…reduced by introducing larger scale edge roughness (Evans, Hu, and Keblinski, 2010; Aksamija and Knezevic, 2011; Haskins et al., 2011) or hydrogen passivation (Evans, Hu, and Keblinski, 2010; Hu et al., 2010), which provides additional mechanisms for tuning the thermal conductivity of 2D materials.”
- Thermal properties of graphene and nanostructured carbon materials. (2011, background): “ K is suppressed. Although graphene reveals extremely high intrinsic K, its dominant K p component can be efficiently suppressed by utilizing graphene ribbons with rough edges or introducing disorder [87, 124, 125]. Theoretical studies suggested that ZT can be made as high as ~4 at RT in zigzag GNRs”