Recent research has highlighted the potential to achieve high-thermal-conductivity polymers by aligning their molecular chains. Combined with other merits, such as low-cost, corrosion resistance, and light weight, such polymers are attractive for heat transfer applications. Due to their quasi-one-dimensional structural nature, the understanding on the thermal transport in those ultradrawn semicrystalline polymer fibers or films is still lacking. In this paper, we built the ideal repeating units of semicrystalline polyethylene and studied their dependence of thermal conductivity on different crystallinity and interlamellar topology using the molecular dynamics simulations. We found that the conventional models, such as the Choy-Young's model, the series model, and Takayanagi's model, cannot accurately predict the thermal conductivity of the quasi-one-dimensional semicrystalline polyethylene. A modified Takayanagi's model was proposed to explain the dependence of thermal conductivity on the bridge number at intermediate and high crystallinity. We also analyzed the heat transfer pathways and demonstrated the substantial role of interlamellar bridges in the thermal transport in the semicrystalline polyethylene. Our work could contribute to the understanding of the structure-property relationship in semicrystalline polymers and shed some light on the development of plastic heat sinks and thermal management in flexible electronics.

Developing affordable and efficient electrocatalysts as precious metal alternatives toward the hydrogen evolution reaction (HER) is crucially essential for the substantial progress of sustainable H 2 energy-related technologies. The dual manipulation of coordination chemistry and geometric configuration for single-atom catalysts (SACs) has emerged as a powerful strategy to surmount the thermodynamic and kinetic dilemmas for high-efficiency electrocatalysis. We herein rationally designed N-doped multichannel carbon nanofibers supporting atomically dispersed Mo sites coordinated with C, N, and O triple components (labeled as Mo@NMCNFs hereafter) as a superior HER electrocatalyst. Systematic characterizations revealed that the local coordination microenvironment of Mo is determined to be a Mo− O 1 N 1 C 2 moiety, which was theoretically probed to be the energetically favorable configuration for H intermediate adsorption by density functional theory calculations. Structurally, the multichannel porous carbon nanofibers with open ends could effectively enlarge the exposure of active sites, facilitate mass diffusion/charge transfer, and accelerate H 2 release, leading to promoted reaction kinetics. Consequently, the optimized Mo@NMCNFs exhibited superior Pt-like HER performance in 0.5 M H 2 SO 4 electrolyte with an overpotential of 66 mV at 10 mA cm −2 , a Tafel slope of 48.9 mV dec −1 , and excellent stability, outperforming a vast majority of the previously reported nonprecious HER electrocatalysts. The concept of both geometric and electronic engineering of SACs in this work may provide guidance for the design of high-efficiency molecule-like heterogeneous catalysts for a myriad of energy technologies.

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Specific chemical reactions only happen in the tumor region and produce abundant special chemicals to in situ trigger a train of biological and pathological effects that may enable tumor-specific curative effects to treat cancer without causing serious side effects on normal cells or organs. Chemodynamic therapy (CDT) is a rising tactic for cancer therapy, which induces cancer cell death via a localized Fenton reaction. However, the tumor therapeutic effect is limited by the efficiency of the chemical reaction and relies heavily on the catalyst. Here, we constructed hollow porous carbon coated FeS2 (HPFeS2@C)-based nanocatalysts for triple-enhanced CDT. Tannic acid was encapsulated in HPFeS2@C for reducing Fe3+ to Fe2+, which had a better catalytic activity to accelerate the Fenton reaction. Afterward, glucose oxidase (GOx) in nanocatalysts could consume glucose in the tumor microenvironment and in situ synchronously produce H2O2, which could improve Fenton reaction efficiency. Meanwhile, the consumption of glucose could lead to the starvation effect for cancer starvation therapy. The photothermal effects of HPFeS2@C could generate heat, which further sped up the Fenton process and implemented synergetic photothermal therapy/starvation therapy/CDT. The biodistribution of nanoparticles was investigated by multimodal magnetic resonance, ultrasound, and photoacoustic imaging. These nanocatalysts could trigger the catalytic Fenton reaction at a high degree, which might provide a good paradigm for nanocatalytic tumor therapy.