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  1. Perovskite materials, of which strontium titanate (STO) and its thin films are an example, have attracted significant scientific interest because of their desirable properties and the potential to tune thermal conductivity by employing several techniques. Notably, strontium titanate thin films on silicon (Si) substrates serve as a fundamental platform for integrating various oxides onto Si substrates, making it crucial to understand the thermal properties of STO on Si. This work investigates the thermal conductivity of STO thin films on an Si substrate for varying film thicknesses (12, 50, 80, and 200 nm) at room temperature (∼300 K). The thin films are deposited using molecular beam epitaxy on the Si substrate and their thermal conductivity is characterized using the frequency domain thermoreflectance (FDTR) method. The measured values range from 7.4 ± 0.74 for the 200 nm thick film to 0.8 ± 0.1 W m−1 K−1 for the 12 nm thick film, showing a large effect of the film thickness on the thermal conductivity values. The trend of the values is diminishing with the corresponding decrease in the thin film thickness, with a reduction of 38%–93% in the thermal conductivity values, for film thicknesses ranging from 200 to 12 nm. This reduction in the values is relative to the bulk single crystal values of STO, which may range from 11 to 13.5 W m−1 K−1 [Yu et al., Appl. Phys. Lett. 92, 191911 (2008) and Fumega et al., Phys. Rev. Mater. 4, 033606 (2020)], as measured by our FDTR-based experiment. The study also explores the evaluation of volumetric heat capacity (Cp). The measured volumetric heat capacity for the 200 nm thin film is 3.07 MJ m−3 K−1, which is in reasonable agreement with the values available in the literature.

     
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    Free, publicly-accessible full text available March 1, 2025
  2. In this study, we report the length dependence of thermal conductivity ( k ) of zinc blende-structured Zinc Selenide (ZnSe) and Zinc Telluride (ZnTe) for length scales between 10 nm and 10 μm using first-principles computations, based on density-functional theory. The k value of ZnSe is computed to decrease significantly from 22.9 W m −1 K −1 to 1.8 W m −1 K −1 as the length scale is diminished from 10 μm to 10 nm. The k value of ZnTe is also observed to decrease from 12.6 W m −1 K −1 to 1.2 W m −1 K −1 for the same decrease in length. We also measured the k of bulk ZnSe and ZnTe using the Frequency Domain Thermoreflectance (FDTR) technique and observed a good agreement between the FDTR measurements and first principles calculations for bulk ZnSe and ZnTe. Understanding the thermal conductivity reduction at the nanometer length scale provides an avenue to incorporate nanostructured ZnSe and ZnTe for thermoelectric applications. 
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  3. We demonstrate in this work that expanded graphite (EG) can lead to a very large enhancement in thermal conductivity of polyetherimide−graphene and epoxy−graphene nanocomposites prepared via solvent casting technique. A k value of 6.6 W⋅m−1⋅K−1 is achieved for 10 wt% composition sample, representing an enhancement of ~2770% over pristine polyetherimide (k~0.23 W⋅m−1⋅K−1). This extraordinary enhancement in thermal conductivity is shown to be due to a network of continuous graphene sheets over long−length scales, resulting in low thermal contact resistance at bends/turns due to the graphene sheets being covalently bonded at such junctions. Solvent casting offers the advantage of preserving the porous structure of expanded graphite in the composite, resulting in the above highly thermally conductive interpenetrating network of graphene and polymer. Solvent casting also does not break down the expanded graphite particles due to minimal forces involved, allowing for efficient heat transfer over long−length scales, further enhancing overall composite thermal conductivity. Comparisons with a recently introduced effective medium model show a very high value of predicted particle–particle interfacial conductance, providing evidence for efficient interfacial thermal transport in expanded graphite composites. Field emission environmental scanning electron microscopy (FE−ESEM) is used to provide a detailed understanding of the interpenetrating graphene−polymer structure in the expanded graphite composite. These results open up novel avenues for achieving high thermal conductivity polymer composites. 
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  4. To achieve polymer–graphene nanocomposites with high thermal conductivity ( k ), it is critically important to achieve efficient thermal coupling between graphene and the surrounding polymer matrix through effective functionalization schemes. In this work, we demonstrate that edge-functionalization of graphene nanoplatelets (GnPs) can enable a larger enhancement of effective thermal conductivity in polymer–graphene nanocomposites relative to basal plane functionalization. Effective thermal conductivity for the edge case is predicted, through molecular dynamics simulations, to be up to 48% higher relative to basal plane bonding for 35 wt% graphene loading with 10 layer thick nanoplatelets. The beneficial effect of edge bonding is related to the anisotropy of thermal transport in graphene, involving very high in-plane thermal conductivity (∼2000 W m −1 K −1 ) compared to the low out-of-plane thermal conductivity (∼10 W m −1 K −1 ). Likewise, in multilayer graphene nanoplatelets (GnPs), the thermal conductivity across the layers is even lower due to the weak van der Waals bonding between each pair of layers. Edge functionalization couples the polymer chains to the high in-plane thermal conduction pathway of graphene, thus leading to overall high thermal conductivity of the composite. Basal-plane functionalization, however, lowers the thermal resistance between the polymer and the surface graphene sheets of the nanoplatelet only, causing the heat conduction through inner layers to be less efficient, thus resulting in the basal plane scheme to be outperformed by the edge scheme. The present study enables fundamentally novel pathways for achieving high thermal conductivity polymer nanocomposites. 
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  5. null (Ed.)
    In this work, we report a high thermal conductivity ( k ) of 162 W m −1 K −1 and 52 W m −1 K −1 at room temperature, along the directions perpendicular and parallel to the c -axis, respectively, of bulk hexagonal BC 2 P (h-BC 2 P), using first-principles calculations. We systematically investigate elastic constants, phonon group velocities, phonon linewidths and mode thermal conductivity contributions of transverse acoustic (TA), longitudinal acoustic (LA) and optical phonons. Interestingly, optical phonons are found to make a large contribution of 30.1% to the overall k along a direction perpendicular to the c -axis at 300 K. BC 2 P is also found to exhibit high thermal conductivity at nanometer length scales. At 300 K, a high k value of ∼47 W m −1 K −1 is computed for h-BC 2 P at a nanometer length scale of 50 nm, providing avenues for achieving efficient nanoscale heat transfer. 
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  6. null (Ed.)
    Thermal conductivity (k) of polymers is usually limited to low values of ~0.5 Wm−1K−1 in comparison to metals (>20 Wm−1K−1). The goal of this work is to enhance thermal conductivity (k) of polyethylene–graphene nanocomposites through simultaneous alignment of polyethylene (PE) lamellae and graphene nanoplatelets (GnP). Alignment is achieved through the application of strain. Measured values are compared with predictions from effective medium theory. A twin conical screw micro compounder is used to prepare polyethylene–graphene nanoplatelet (PE-GnP) composites. Enhancement in k value is studied for two different compositions with GnP content of 9 wt% and 13 wt% and for applied strains ranging from 0% to 300%. Aligned PE-GnP composites with 13 wt% GnP displays ~1000% enhancement in k at an applied strain of 300%, relative to k of pristine unstrained polymer. Laser Scanning Confocal Microscopy (LSCM) is used to quantitatively characterize the alignment of GnP flakes in strained composites; this measured orientation is used as an input for effective medium predictions. These results have important implications for thermal management applications. 
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