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Thermal transport across the CoSb3-graphene interface
Kaili Yin1, Liping Shi1, Yesheng Zhong1
1Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin 150080, China. zhongyesheng@hit.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|January 5, 2023
Summary
Adding graphene to cobalt antimonide (CoSb3) composites significantly reduces thermal conductivity. Molecular dynamics simulations reveal that graphene layers suppress heat flux, enhancing thermoelectric performance by decreasing lattice thermal conductivity (κL).
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Cobalt antimonide (CoSb3) exhibits excellent electrical transport but suffers from high thermal conductivity, limiting its thermoelectric potential.
- Graphene integration offers a promising strategy to reduce lattice thermal conductivity (κL) in CoSb3-based composites through heterogeneous interfaces.
Purpose of the Study:
- To investigate interfacial thermal conductance across CoSb3-graphene interfaces using molecular dynamics (MD) simulations.
- To explore the impact of graphene layers on interfacial heat transport in CoSb3-graphene systems.
Main Methods:
- Molecular dynamics (MD) simulations were employed to study interfacial thermal conductance.
- Simulations were conducted across a temperature range of 300 K to 800 K.
- The effect of varying graphene layers on heat transport was analyzed.
Main Results:
- Interfacial thermal conductance showed irregular fluctuations with temperature and CoSb3 length.
- Graphene layers influenced interfacial thermal conductance by suppressing heat flux across the c-axis in multilayer graphene.
- Phonon density of states (PDOS) analysis indicated a decrease in low-frequency vibrations and an increase in high-frequency vibrations in CoSb3-graphene compared to CoSb3.
Conclusions:
- Graphene addition effectively suppresses thermal transport in CoSb3-based materials.
- The heterogeneous interface between CoSb3 and graphene plays a crucial role in reducing lattice thermal conductivity.
- These findings highlight the potential of CoSb3-graphene composites for improved thermoelectric applications.
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