Ionic thermoelectrics (i-TEs) have garnered widespread attention due to their flexibility and huge thermopower, where the Soret effect in polymer gels plays a critical role. However, although various characterization techniques have been employed to investigate ion-polymer interactions in polymer gels, there is still a lack of mature operando methods to characterize the differential transport behavior of cations and anions under a temperature gradient. To address this, we developed operando Raman spectroscopy for i-TEs, enabling precise mapping of cation and anion transport through rapid Raman scanning. Using a typical n-type i-TE material (PVDF-HFP/ EMIM:TFSI), we observed a pronounced kosmotropic effect in the polymer gel. Anion thermodiffusion exhibited distinctive features accompanied by a cold-end accumulation effect, while cation transport exhibited irregular mobility patterns through ion-dipole interactions. The electrode-adjacent region demonstrates enhanced ion migration with accelerated response kinetics. Operando Raman spectroscopy provides an accurate and dynamic description of ion transport behavior in i-TEs, serving as an effective tool for understanding the thermopower in polymer gels.

The relentless demand for energy-efficient electronics creates a critical thermal bottleneck. A long-standing paradigm holds that compressive strain universally degrades thermal transport in two-dimensional (2D) materials by inducing phonon-scattering wrinkles. Here, we overturn this in MoS2 by demonstrating that substrate-confined, wrinkle-free compression drastically enhances its in-plane thermal conductivity. This feature is achieved through a substrate confinement strategy that enables uniform, wrinkle-free compression. We experimentally measured a remarkable 40% boost in thermal conductivity with merely 1% compressive strain, an effect that starkly contrasts with the suppression observed under tension. Molecular dynamics simulations reveal that the substrate suppresses out-of-plane instabilities via van der Waals coupling, facilitating an unprecedented strain transfer. First-principles calculations further reveal that the compressive strain reconfigures the crystal symmetry, concurrently increasing phonon group velocities and prolonging phonon lifetimes. This work resolves a critical bottleneck in 2D thermal management and unlocks a new pathway for the atomic-scale design of high-thermal conductivity materials for next-generation electronics.

The rational design of polymers with high thermal conductivity remains a formidable challenge due to the vastness of chemical space and the costly nature of property evaluation. By integrating start-of-the-art informatics tools-a rule-based generator, kernel-mean force-field descriptors, and automated molecular dynamics-we built a targeted pipeline to discover synthesizable, thermally conductive polymers. Our workflow encodes polymer repeat units into kernel-mean-embedded physical descriptors inspired by classical force fields, capturing essential atomic interactions. These descriptors facilitate the training of superior feedforward and convolutional neural network models for thermal conductivity prediction, with test R & sup2; values reaching 0.86. Coupled with these predictive models, we deploy a chemically grounded, rule-based generator to produce a library of over 14 million synthesizable virtual polymers from commercially available monomers, subsequently down-selected to similar to 300,000 candidates based on the domain knowledge. Machine learning screening identified 45 polyamides exhibited molecular dynamics-validated thermal conductivity exceeding 0.40 W & centerdot;m(-1) K-1 from 154 samples-a 13-fold increase in discovery rate compared to the initial benchmark. Beyond the workflow, our analysis reveals that extended chain conformations and strong intra-chain interactions are key mechanistic drivers of high thermal conductivity, offering both a practical screening framework and fundamental design insights.

This work develops a self-constructed functional alloy anode for high-performance all-solid-state lithium batteries (ASSLBs). We designed a (200)-oriented single-phase Li/Na alloy using a controlled weight ratio (0.1:0.9) and a cold-rolling process, with enhanced air stability. When assembled with sulfide solid electrolytes, the Li0.1Na0.9 alloy anode would self-construct into tri-layer functional structures: an in situ formed Na2S interfacial layer from the reaction between Na and the electrolyte, to suppress the leakage of electrons at the interface; a self-precipitated Li layer, facilitated by the special orientation, to offer nuclei for the uniform deposition of lithium; and a self-formed Na buffer layer to dynamically regulate the stress during the deposition process. This new anode enables the critical current density of symmetrical cells to exceed 12.74mA·cm−2 at room temperature, sustaining stable cycling for over 1580h at 10.19mA·cm−2, with the cell-level energy density expected to exceed 450Wh·kg−1. We anticipate that this finding will have an immediate impact on the next generation of ASSLBs.

With the rapid evolution of high-power electronics driven by advanced communication technologies and artificial intelligence, efficient thermal management has become a critical challenge. Hexagonal boron nitride (h-BN)/polymer composites, which integrate the flexibility of polymers with high thermal conductivity, low dielectric constant, and electrical insulation of inorganic fillers, are promising candidates for electronic packaging and communication systems. However, inefficient micro/nanoscale interfacial heat transport and weak interfacial bonding severely limit simultaneous improvements in thermal conductivity and mechanical robustness. Here, we demonstrate an edge-selective hydroxylation strategy that overcomes this limitation. Edge hydroxyl groups bridge the filler-matrix interface via hydrogen bonding interactions, markedly decreasing interfacial thermal resistance by 24.5%, while reducing the intrinsic thermal conductivity of BNNS by only 4.1%. Both molecular dynamics simulations and experimental results consistently show that the significantly enhanced interfacial coupling enables the edge-hydroxylated boron nitride nanosheets/polyvinyl alcohol (BNNS-OH/PVA) films to achieve a high in-plane thermal conductivity of 45.8 W m-1 K-1 and a tensile strength of 47.2 MPa, while maintaining low dielectric constant and loss for high electromagnetic wave transparency. These findings establish interfacial bridging as an effective route to simultaneously optimize heat transport and mechanical performance, offering a viable pathway for thermal management in next-generation high-power electronics and communication devices.

Two-dimensional (2D) heterostructures provide an unusually versatile platform for engineering interfaces at the atomic scale. As these materials move toward electronic, optoelectronic and multifunctional devices, heat flow across their interfaces is emerging as a central factor that governs performance, stability and reliability. Interfacial thermal transport has traditionally been treated as a material-pair-specific conductance that should be measured and optimized. In 2D heterostructures, however, the interface is not a passive boundary with a fixed thermal response. Its conductance is shaped by the structural history, local configuration and dynamic state of the interface. In this perspective, we discuss how interface formation, thermal metrology and microscopic phonon mechanisms together define heat flow across atomically thin heterointerfaces. We highlight how direct growth and transfer assembly create distinct opportunities for lateral and vertical interfaces, how Raman thermometry, pump-probe thermoreflectance and electrical methods quantify interfacial transport, and how elastic transmission, inelastic scattering and interface-specific vibrational states govern nanoscale heat flow. We then consider how intrinsic and external control of 2D heterointerfaces can be used to tune conductance for heat dissipation, local heat confinement, rectification and thermal switching. We argue that the future of the field lies in moving from passive characterization of interfacial thermal conductance toward predictive, spatially resolved and actively controlled heat flow in 2D heterostructures.

Lithium-sulfur all-solid-state batteries (Li-S ASSBs) offer ultrahigh specific capacity and enhanced safety but are hindered by low cathode-level energy density. Simulations reveal that intra-agglome rate mass-transport limitations in bulk sulfur represent the primary challenge. To address this, we propose an "active material (AM)-free" design using a cathode composed solely of Li6PS5Cl (LPSCl) and carbon, where AMs form in situ via electrolyte decomposition. The resulting submicron-scale AMs overcome mass-transport limitations through shortened diffusion paths. By expanding LPSCl-carbon interfaces, this cathode exhibits high cathode-level energy density. The self-limiting AM growth prevents excessive degradation, ensuring cycling stability (95% retention after 500 cycles at 50 degrees C). Subsequent optimization with LiI additive further elevates cathode-level energy density to 1,277.8 Wh kg-1 (9.25 mAh cm-2 ) and extends cycle life to 767 cycles at room temperature (RT). This work provides a promising approach to designing high-performance cathodes by exploiting the redox activity of the solid electrolyte.

Efficient heat dissipation across van der Waals (vdW) interfaces is a long-standing challenge in two-dimensional (2D) heterostructures, where cross-plane thermal transport is commonly regarded as an intrinsic and quasi-static interface property dictated by weak interlayer coupling and fixed interfacial geometry. As a result, vdW interfaces are typically viewed as passive thermal bottlenecks that can only be modified through direct chemical or structural engineering. Here, we demonstrate this view is incomplete. We show that in-plane lattice deformation can reversibly reshape cross-plane interfacial thermal transport without directly perturbing the interface itself. Using high-quality MoS2/WS2 heterobilayers, we experimentally observe that a modest in-plane tensile strain (∼1.6%) enhances interfacial thermal conductance by approximately 50%, with excellent reproducibility across independent samples and full reversibility over multiple strain-release cycles. Molecular dynamics simulations reveal that this enhancement originates from strain-induced interfacial compliance, characterized by contraction of the vdW gap, stiffening of interlayer force constants, and strengthened elastic phonon transmission. Importantly, strain-enhanced interfacial heat transport increases the critical absorbed power density prior to thermal degradation, indicating that mechanical deformation effectively shifts the apparent thermal stability threshold by reconfiguring heat-dissipation pathways. This work establishes in-plane mechanical deformation as a noninvasive and dynamically controllable method for reshaping interfacial heat transport and associated stability limits in vdW heterostructures, providing a scalable route toward adaptive thermal management in 2D material-based electronic architectures.

The one-dimensional (1D) theoretical models for thermoelectric generators (TEGs) widely used to interpret experimental results and guide device design have not been subjected to a rigorous re-evaluation. In this work, we examine the foundations of the traditional 1D TEG model and identify the omission of the heat flow induced by the Seebeck effect, and inconsistencies in boundary conditions, both of which can lead to deviations in predicting the origin of thermoelectric power and the energy conversion efficiency. A new 1D model with Seebeck heat flow and four junction temperatures is proposed based on actual thermoelectric generators. In addition, The TEG system is decomposed into a thermal subsystem and an electrical subsystem, which can clarify the energy conservation relation at the interface and inside element. Numerical solutions to the governing equations system of the new 1D model show that compared to traditional 1D models, the new 1D model has three advantages: (1) the temperature at both ends of the thermoelectric element is variable, not fixed; (2) the thermoelectric conversion efficiency can be more accurately predicted; (3) the output electrical power does not come from the conversion of Peltier heat flow, but from the conversion of heat flow provided by the heat reservoir.

Two-dimensional (2D) beta-bismuthene has emerged as a promising thermoelectric material owing to its distinctive electronic and thermal properties. Engineering phonon transport through structural parameters such as layer numbers and twist angle provide a powerful strategy for tailoring the thermal behavior of 2D layered materials. In this work, we systematically investigate its thermal transport behavior using molecular dynamics simulations, focusing on the effects of layer number and twist angle. The lattice thermal conductivity increases with layer number from monolayer to five layers but gradually saturates, exhibiting an anomalous layer-dependent trend. In twisted bilayer beta-bismuthene, a pronounced 79.2% reduction in in-plane thermal conductivity is observed at a twist angle of theta = 30 degrees compared to theta = 0 degrees, accompanied by a 62.4% decrease in interfacial thermal conductance. Detailed analyses of phonon transmission, density of states, participation ratio, and interfacial potential energy reveal that these reductions arise from suppressed low-frequency phonon transport and weakened interlayer coupling. This work demonstrates that twist angle engineering provides an effective strategy for tuning both in-plane and interfacial thermal transport, offering valuable guidance for designing 2D materials with tailored thermoelectric performance.

Early-stage interface damage in GaN high-electron-mobility transistors (HEMTs) is difficult to detect using conventional characterization methods due to limited spatial resolution and lack of in-situ diagnostic capability. Achieving precise, high-resolution detection of interface damage is essential for optimizing device architecture and revealing the underlying failure mechanisms. This paper introduces a measurement framework for assessing the intensity and spatial distribution of interface damage in GaN HEMTs. Electrical characterization and micro-Raman spectroscopy are combined to determine the evolution of interface damage after extended use. Electrical characterization is employed to quantify the evolution of surface trap states after device aging. Micro-Raman spectroscopy results provide the necessary spatial resolution to measure abnormal electric fields caused by trap states. The Raman-based scanning result is validated against focused ion beam scanning electron microscopy (FIB-SEM) imaging, demonstrating a spatial correlation between the optically identified trap state proliferation sites and the physical breakdown location. The results demonstrate the feasibility of combining Raman spectroscopy and electrical characterization as a diagnostic tool for early failure detection in GaN HEMTs.

Designing polymers with high intrinsic thermal conductivity (TC) faces challenges due to the vast chemical space and substantial resource requirements of conventional methods. Here, we develop a quantum-inspired genetic algorithm (QGA) that integrates quantum computing concepts with classical evolutionary optimization to enable efficient polymer design. Using a deep neural network trained on molecular fingerprints as a surrogate model for rapid property evaluation, the QGA demonstrates superior optimization capability and convergence stability compared to classical genetic algorithms in designing ternary alternating copolymers. When applied to the design of pentameric alternating copolymers within a candidate space comprising over 1 & times; 10(7) possible structures, the method successfully identified that 10.4% of the 9975 designed candidates achieved a predicted TC > 0.40 W m(-1) K-1. Molecular dynamics simulations validate the predictions, while structural analysis reveals that rigid, conjugated fragments serve as critical building blocks that facilitate thermal transport primarily through intra-chain energy transfer. This work establishes an effective strategy for inverse design of thermally conductive polymers and demonstrates the potential of quantum-inspired optimization in the development of advanced materials.

Ceramic matrix composites (CMCs), distinguished by their high-temperature resistance, low density, and high specific strength, are extensively employed in the hot-end components of aero-engines. The pores inside CMCs can serve as seepage channels for transpiration cooling. This study obtained the permeability and inertial coefficient of two-dimensional plain-woven (2DPW) CMCs by experiments and then established a parametric modeling method and pore-scale simulation methodology specifically for 2DPW, and the internal flow mechanism was analyzed. Firstly, an experimental investigation was conducted to explore the flow characteristics, and the permeability and inertial coefficients among different porous medium were compared. Second, the internal geometric structure of the material was captured using a micro-computed tomography scanning method, and a simplified parametric modeling method was developed. Third, a representative volume element was constructed for pore-scale internal flow simulations. Numerically predicted pressure drops versus flow rate characteristics were validated against experimental data. Finally, an analysis was conducted on the internal flow and heat transfer characteristics, and the flow resistance as well as the volumetric convective heat transfer coefficient were acquired. The results indicated that the complex pore structure induced by inter-layer misalignment gives rise to high fluid tortuosity, resulting in significant variations in the magnitude and direction of the flow velocity, which contribute to the high inertial resistance. For the coupled flow and heat transfer process, the numerical simulation results show that the staggered 2D plain woven structure forces the fluid to pass through the inter-layer pores when flowing through the woven meshes of different layers, which generates substantial flow resistance while enhancing the heat transfer performance. The high-velocity flow within the narrow inter-layer pores provides the basis for high heat transfer, and the dual heat sources are derived from both the high-temperature solid matrix and the high-temperature swirling flow in the inter-bundle pores. This study provided guidance for the establishment of 2DPW geometric models, the analysis of flow and heat transfer characteristics, and the gradient porosity design in transpiration cooling.

This work proposes a physics-based compact modeling framework for the frequency dispersion of gate capacitance in AlGaN/gallium nitride (GaN) high-electron-mobility transistors (HEMTs), enabling capacitance-voltage (C-V) decoupling and an accurate analysis of interface and buffer traps. An improved buffer trap charge model is developed by partitioning the buffer layer into a near-interface region, described by a triangular potential well, and a far region, treated via the integration of Poisson's equation and Gauss's law. Incorporating this static charge model with Shockley-Read-Hall (SRH) statistics and the Lehovec admittance formalism, a unified capacitance dispersion framework is established by decomposing the intrinsic gate capacitance into barrier, 2DEG, and trap components, with distinct time constants derived for buffer and interface traps. Validated against TCAD simulations and experimental measurements across a wide range of frequencies and gate biases, the model achieves excellent agreement (4.59% versus TCAD and 1.66% versus measurements). This model provides a clear physical picture for trap characterization while remaining structurally compatible with circuit-level implementation.

Heterogeneous solid-state confinement drives Li toward low-compressive-stress regions, causing local Li focusing and premature plating in all-solid-state Si anodes.

The rapid development of flexible organic electronic devices and high-power electronic chips has intensified the demands for higher thermal conductivity in epoxy resins-based thermal management materials. While molecular engineering of polymer to enhance thermal conductivity has uncovered the even-odd effect in the thermal conductivity of liquid crystalline epoxy resins, the underlying mechanism remains elusive. In this study, equilibrium molecular dynamics simulations were employed to systematically investigate liquid crystalline epoxy resin systems with varying linker lengths (x = 2-8). Three controlled reference ensembles with different levels of orientational and structural order were constructed, including long-range ordered, short-range ordered, and amorphous systems, representing relatively high, intermediate, and low degrees of structural ordering in epoxy resins, respectively. In both the long-range-ordered and short-range-ordered reference ensembles, thermal conductivity and mass density exhibit pronounced linker-parity-dependent variations, whereas this odd-even effect is significantly weakened in the amorphous reference ensemble. Through analyses of the morphological characteristics and phonon transport properties, we reveal that the odd-even effect in liquid crystalline epoxy resins is closely associated with the evolution of molecular chain conformation and interchain packing behavior. When the overall ordering level of the model is maintained, the parity of linker length can regulate the equilibrium chain conformation, local packing structure, and interchain interactions. These parity-induced structural variations further modulate phonon transport processes, leading to differences in thermal conductivity.

Aramid nanofiber (ANF) composites are promising thermal interface materials due to their excellent mechanical and thermal stability, prominent electrical insulation properties, flame retardance and remarkable chemical corrosion resistance, making them capable of operating under extreme conditions. However, their low intrinsic thermal conductivity limits their application for heat dissipation in high-power electrical components. This review systematically summarizes recent advances in enhancing the thermal conductivity of ANF composites from three critical perspectives: filler selection and design, interface modification strategies, and construction of ordered thermal-conduction pathways. We summarize the advantages of composites with different types of thermally conductive fillers (ceramic, carbon, metal, and MXene fillers), analyze the effects of hydrogen bonding, electrostatic attraction, and chemical crosslinking on interfacial thermal resistance, and discuss 0D/1D/2D, gradient and multilayer ordered thermal-conduction pathway design for achieving high thermal conductivity. Future challenges and research directions are also proposed, providing guidance for the development of next-generation high-performance thermal management materials.

The advent of interlayer twist has introduced a groundbreaking paradigm, unveiling novel physical phenomena spanning from correlated insulating states to superconductivity. This unprecedented platform facilitates the manipulation of electrons and extends its capabilities to the effective control of bosons. For phonons, a consensus has been reached that interlayer twist greatly suppresses phonon transport as it breaks the symmetry of the lattice. Here, we report a counterintuitive experimental observation in which the interlayer twist can significantly promote the transportation of phonons across an intrinsically asymmetric heterointerface. Employing the time-domain thermoreflectance mapping technique, our results show a 2.5-fold increase in interfacial thermal conductance (ITC) in twisted bilayer MoS2/WS2 heterostructures relative to initial commensurate configurations. Combined experimental and atomic simulation results reveal the inelastic scattering-dominated nature of thermal transport at MoS2/ WS2 heterointerfaces. The introduction of interlayer twist amplifies this effect, triggering a reconstruction of nonequilibrium phonon temperature distributions at the interface. This phenomenon activates efficient optical-to-acoustic phonon conversion through inelastic scattering and creates additional transport channels that overcome the intrinsic phonon mismatch in heterostructures. Our work establishes a paradigm for enhancing ITC by strategically introducing interlayer perturbations to amplify inelastic scattering effects. This breakthrough opens broad avenues for advanced thermal management in integrated circuits.

Thermal boundary conductance (TBC) at dissimilar interfaces imposes a fundamental limit on electronic device performance, yet predicting and understanding heat transport across realistic, disordered boundaries remains elusive. Here, we develop a computational framework that combines machine-learned interatomic potentials with lattice dynamics to address the long-standing problem of how interfacial structure, from disordered to atomically sharp, affects thermal transport in the technologically important β-Ga_2O_3/4H-SiC heterostructure. By explicitly accounting for phonon wave-particle duality, we show that interfacial disorder introduces additional interfacial phonon modes that facilitate vibrational impedance matching between the two highly dissimilar crystals, yet it simultaneously disrupts interfacial phonon coherence and limits the potential heat-transport benefit. Our atomistic simulations further indicate that restoring atomic-scale order preserves coherence and yields markedly higher conductance. These insights motivate the controlled epitaxial growth of β-Ga_2O_3/4H-SiC heterostructures with systematically tuned interfacial order. Experimental measurements validate our predictions, achieving a record-high TBC of 231 MW m^-2 K^-1 at atomically sharp junctions. Beyond the immediate implications for β-Ga_2O_3-based power electronics, our results establish the preservation of interfacial phonon coherence as an effective strategy for mitigating thermal bottlenecks in mismatched systems.

High thermal conductivity and electromagnetic interference (EMI) shielding are vital in complex thermal management. Aramid is suitable for applications in extreme environments, but enhancing thermal conductivity and EMI shielding simultaneously remains challenging. This study reports a universal interface engineering strategy using hydroxyl-modified carbon nanotubes (OH-CNTs) to achieve this combination in aramid composites. Simulations reveal that hydroxylation enhances low-frequency phonon transmission, reducing the interface thermal resistance by 62% for OH-CNT/OH-CNT interfaces and 86% for OH-CNT/aramid interfaces. Hydroxyl modification introduces dipole polarization, enhances interface polarization, and promotes filler dispersion. The developed OH-CNT-40% film achieves an in-plane thermal conductivity of 33.7 W m-1 K-1 and an EMI shielding effectiveness of 819 dB cm-1, surpassing the results of most previous studies. Interface engineering enables simultaneous enhancement of thermal conductivity and EMI shielding, offering a universal design principle for next-generation multifunctional thermal interface materials.