Significantly Enhanced Interfacial Thermal Transport between Single-layer Graphene and Water Through Basal-plane Oxidation
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arXiv
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866916375454285824 |
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| author | Cui, Haoran Panneerselvam, Iyyappa Rajan Chakraborty, Pranay Nian, Qiong Liao, Yiliang Wang, Yan |
| author_facet | Cui, Haoran Panneerselvam, Iyyappa Rajan Chakraborty, Pranay Nian, Qiong Liao, Yiliang Wang, Yan |
| contents | Heat transfer between graphene and water is pivotal for various applications, including solarthermal vapor generation and the advanced manufacturing of graphene-based hierarchical structures in solution. In this study, we employ a deep-neural network potential derived from ab initio molecular dynamics to conduct extensive simulations of single-layer graphenewater systems with different levels of oxidation (carbon/oxygen ratio) of the graphene layer. Remarkably, our findings reveal a one-order-of-magnitude enhancement in heat transfer upon oxidizing graphene with hydroxyl or epoxide groups at the graphene surface, underscoring the significant tunability of heat transfer within this system. Given the same oxidation ratio, more dispersed locations of functional groups on graphene surface leads to faster heat dissipation to water. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2408_16998 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Significantly Enhanced Interfacial Thermal Transport between Single-layer Graphene and Water Through Basal-plane Oxidation Cui, Haoran Panneerselvam, Iyyappa Rajan Chakraborty, Pranay Nian, Qiong Liao, Yiliang Wang, Yan Materials Science Mesoscale and Nanoscale Physics Heat transfer between graphene and water is pivotal for various applications, including solarthermal vapor generation and the advanced manufacturing of graphene-based hierarchical structures in solution. In this study, we employ a deep-neural network potential derived from ab initio molecular dynamics to conduct extensive simulations of single-layer graphenewater systems with different levels of oxidation (carbon/oxygen ratio) of the graphene layer. Remarkably, our findings reveal a one-order-of-magnitude enhancement in heat transfer upon oxidizing graphene with hydroxyl or epoxide groups at the graphene surface, underscoring the significant tunability of heat transfer within this system. Given the same oxidation ratio, more dispersed locations of functional groups on graphene surface leads to faster heat dissipation to water. |
| title | Significantly Enhanced Interfacial Thermal Transport between Single-layer Graphene and Water Through Basal-plane Oxidation |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2408.16998 |