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Author:

Sang, L.-X. (Sang, L.-X..) | Li, Z.-K. (Li, Z.-K..)

Indexed by:

EI Scopus SCIE

Abstract:

Thermoplasmonics originating from the relaxation process of plasmon resonances in nanostructures can be utilized as an efficient and highly localized heat source in solar-hydrogen conversion, but there have been few researches on the interfacial heat transport properties of photoelectrode with the thermoplasmonics effect in a photoelectrochemical water splitting system. In this work, the effects of temperature, interfacial coupling strength and the addition of graphene layers on the interfacial thermal conductance of Au-TiO2 electrodes are investigated by the non-equilibrium molecular dynamics simulation, and the variation of interfacial thermal conductance is analyzed by the phonon density of states. The results show that the interfacial thermal conductivity is increased by 78.55% when the temperature increases from 300 to 800 K. This is related to the fact that more low-frequency phonons participate in the interface heat transport, allowing more heat to be transferred to TiO2 to promote the interface reaction. As the coupling strength of the Au-TiO2 interface increases, the interfacial thermal conductivity of the electrode increases and then tends to stabilize. The interfacial thermal conductivity can be optimized by increasing the degree of overlap of the phonon state densities of Au and TiO2. The addition of a single layer of graphene can increase the interfacial thermal conductivity to 98.072 MW·m–2·K–1, but the addition of 2 and 3 layers of graphene can hinder interfacial heat transfer in Au and TiO2 due to the interaction between the layers of graphene. When adding graphene layer, medium-frequency phonons and high-frequency phonons are stimulated to participate in the interfacial heat transfer, but with the increase of the graphene layers, the number of low-frequency phonons in a range of 0—30 THz decreases, and these low-frequency phonons make the greatest contribution to the interfacial thermal conductivity. The obtained results are useful in regulating the thermal transport properties of the photoelectrode interface, which can provide new insights into and theoretical basis for the design and construction of composite photoelectrodes. © 2024 Chinese Physical Society.

Keyword:

Au-TiO2 molecular dynamics phonon density of states interfacial thermal conductivity

Author Community:

  • [ 1 ] [Sang L.-X.]Beijing Key Laboratory of Heat Transfer and Energy Conversion, MOE Key Laboratory of Enhanced Heat Transfer and Energy Conservation, Beijing University of Technology, Beijing, 100124, China
  • [ 2 ] [Li Z.-K.]Beijing Key Laboratory of Heat Transfer and Energy Conversion, MOE Key Laboratory of Enhanced Heat Transfer and Energy Conservation, Beijing University of Technology, Beijing, 100124, China

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Source :

Acta Physica Sinica

ISSN: 1000-3290

Year: 2024

Issue: 10

Volume: 73

1 . 0 0 0

JCR@2022

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 2

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 4

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