"EXPLORING THERMAL TRANSPORT IN ELECTROCHEMICAL ENERGY STORAGE SYSTEMS " by Dibakar Datta and Eon Soo Lee
 

EXPLORING THERMAL TRANSPORT IN ELECTROCHEMICAL ENERGY STORAGE SYSTEMS UTILIZING TWO-DIMENSIONAL MATERIALS: PROSPECTS AND HURDLES

Document Type

Syllabus

Publication Date

1-1-2023

Abstract

Two-dimensional materials (e.g., graphene and transition metal dichalcogenides) and their heterostructures have enormous applications in electrochemical energy storage systems such as batteries. A comprehensive and solid understanding of these materials' thermal transport and mechanism is essential for practical device design. Several advanced experimental techniques have been developed to measure the intrinsic thermal conductivity of materials. However, experiments have challenges in providing improved control and characterization of complex structures, especially for low-dimensional materials. Theoretical and simulation tools, such as first-principles calculations, Boltzmann transport equations, molecular dynamics simulations, lattice dynamics simulation, and nonequilibrium Green's function, provide reliable predictions of thermal conductivity and physical insights to understand the underlying thermal transport mechanism in materials. However, doing these calculations requires high computational resources. The development of new materials synthesis technology and fast-growing demand for rapid and accurate prediction of physical properties requires novel computational approaches. The machine learning method provides a promising solution to address such needs. This review details the recent development in atomistic/molecular studies and machine learning of thermal transport in two-dimensional materials. The paper also addresses the latest significant experimental advances. However, designing the best two-dimensional materials-based heterostructures is like a multivariate optimization problem. For example, a particular heterostructure may be suitable for thermal transport but can have lower mechanical strength/stability. For bilayer and multilayer structures, the interlayer distance may influence the thermal transport properties and interlayer strength. Therefore, the last part of this review addresses the future research direction in two-dimensional materials-based heterostructure design for thermal transport in energy storage systems.

Identifier

85179183502 (Scopus)

Publication Title

Annual Review of Heat Transfer

External Full Text Location

https://doi.org/10.1615/ANNUALREVHEATTRANSFER.2023049365

e-ISSN

23750294

ISSN

10490787

First Page

255

Last Page

306

Volume

26

Grant

2126180

Fund Ref

National Science Foundation

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