Ultimate impedance of coherent heat conduction in van der Waals graphene-MoS2 heterostructures

Optimizing thermal transport in graphene nanoribbon based on phonon resonance hybridization

“…The Large-scale Atomic/Molecular Massively Parallel Simulation (LAMMPS) package is used in the simulations [28][29][30][31][32]. The interatomic interactions are described by the optimized Tersoff potential, which has successfully reproduced the thermal transport properties of graphene [18,[33][34][35]. The detailed parameters and specific simulation process are shown in the SM.…”

Engineering Thermal Transport across Layered Graphene–MoS2 Superlattices

“…Layer-by-layer (LBL) assembly enables the creation of synthetic heterostructures with artificially tailored optical and electronic properties . Because the distribution of atomic masses and bond strengths can be varied on the length scale of individual atoms, it has also been suggested that phonon spectra and thermal transport can be engineered in extreme ways. , This tunability arises from variations in atomic composition on the scale of phonon wavelengths (few nanometers), as well as large coherence lengths of heat-carrying phonons traveling across van der Waals (vdW) interfaces …”

“…4 Because the distribution of atomic masses and bond strengths can be varied on the length scale of individual atoms, it has also been suggested that phonon spectra and thermal transport can be engineered in extreme ways. 5,6 This tunability arises from variations in atomic composition on the scale of phonon wavelengths (few nanometers), as well as large coherence lengths of heatcarrying phonons traveling across van der Waals (vdW) interfaces. 7 The ability to choose different 2D layers and stack them in a deterministic fashion can enable thermal metamaterials with tailored thermal transport and thermoelectric conversion properties.…”

Enhancing thermoelectric properties of isotope graphene nanoribbons via machine learning guided manipulation of disordered antidots and interfaces

“…Material informatics integrated with informatics algorithms for material structure optimization has been demonstrated superior to traditional empirical trialand-error methods in the design of multi-degree-of-freedom thermal functional materials [41,42]. It has high efficiency in thermal transport design [43][44][45], thermoelectric optimization [46][47][48] and thermal radiation design [49][50][51]. Moreover, some optimal structures or devices such as aperiodic GaAs/AlAs superlattice structure with low coherent phonon heat conduction [52] and highly wavelength-selective, multilayer nanocomposite selective thermophotovoltaic emitter [53] have been experimentally fabricated, which demonstrates the applicability and efficiency of the informatics algorithms.…”