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On the Generalized Thermal Conductance Characterizations of Mixed One-Dimensional–Two-Dimensional van der Waals Heterostructures and Their Implication for Pressure Sensors

Gao, Yuan, Xu, Baoxing
ACS applied materials & interfaces 2018 v.10 no.16 pp. 14221-14229
deformation, materials science, mechanical properties, molecular dynamics, simulation models, thermal conductivity, van der Waals forces
The emergence of ever-growing two-dimensional (2D) materials has made revolutionary innovations on van der Waals (vdW) heterostructural designs by integrating them with other low-dimensional materials to achieve unprecedented and/or multiple functionalities that are beyond individual components. Guided by full-scale molecular dynamics simulations, we present a mixed-dimensional heterostructure by vertically stacking one-dimensional (1D) and 2D materials through noncovalent vdW interactions and demonstrate that the thermal conductance can be generalized into a unified model by incorporating their mechanical properties and geometric features. Simulation analyses further reveal the strong dependence of thermal conductance on the location and magnitude of an external pressure loading applied to the local vdW heterojunctions. The underlying thermal transport mechanism is uncovered through the elucidation of the mechanical deformation, curvature morphology, and density of atomic interactions at the heterojunctions. A proof-of-conceptual design of such a heterostructure-enabled pressure sensor is explored by utilizing the unique response of thermal transport to mechanical deformation at heterojunctions. These designs and models are expected to broaden the applications and functionalities of mixed-dimensional heterostructures and will also offer an alternative strategy to leverage thermal transport mechanisms in the design of high-performance vdW heterostructure-enabled sensors.