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Dithienylethene photoswitches with an aromatic π‐linker as the bridge between the two thiophene units are attractive starting materials for developing molecular solar thermal energy (MOST) storage systems, partly because the aromaticity of their ring‐open forms is a favorable feature with regard to the energy‐storage densities of their ring‐closed forms produced by photoinduced electrocyclization (photocyclization) reactions. At the same time, this typically leads to small barriers for their thermal cycloreversion reactions, which are not desirable in this context. Here, we use computational methods to show that this problem can be circumvented with polycyclic heteroaromatic π‐linkers. Specifically, through the tuning of the aromatic character of the individual rings of such a π‐linker (like indole or isoindole), it is shown to be possible to strike a delicate balance between the seemingly contrasting requirements of simultaneously achieving both a high energy‐storage density and a large cycloreversion barrier. Furthermore, this design is also found to provide for a quick and efficient photocyclization reaction, owing to the onset of excited‐state antiaromaticity in the π‐linker upon light absorption of the ring‐open form. Altogether, dithienylethenes with polycyclic heteroaromatic π‐linkers appear to have both thermal and photochemical properties suitable for further development into future MOST systems. [ABSTRACT FROM AUTHOR]

Titanium dioxide hollow microspheres (HMS-TiO 2) were successfully synthesized through a sol-gel and subsequent high-temperature calcination method using a hard template. These microspheres exhibit an average particle size of about 13.66 μm and a shell layer thickness approximately 1.18 μm. Furthermore, the thermal insulation effect is evident in cementitious materials coated with an HMS-TiO 2 -based composite film. The maximum average near infrared (NIR) reflectance and thermal insulation temperature difference of these coated materials are 46.81 % and 9.3 ℃, respectively. Notably, the modified composite film displays excellent mechanical and impermeable properties when applied to the surface of cement mortar samples. These comprehensive results indicate that introducing HMS-TiO 2 with the synergy of structure and composition significantly enhances the thermal, mechanical, and durability properties of modified waterborne coatings on cement-based materials. This augmentation makes them well-suited for thermal insulation and heat preservation applications in building structures. • Micro-scale hollow TiO 2 was synthesized using a hard template method. • The synergy of structure and composition is crucial for cement coatings. • Hollow TiO 2 -based coatings show excellent thermal insulation properties on buildings. [ABSTRACT FROM AUTHOR]

The mechanical properties especially the compression performance are very important for thermal interface materials (TIMs) to mitigate warpage failure caused by stress concentration and reduce contact resistance in practical applications. However, high thermal conductivity and excellent mechanical properties are generally incompatible in traditional TIMs. Herein, we fabricate a high-performance carbon fiber-based TIM by using an extrusion method based on the flow shearing effect. The vertically oriented composite shows a through-plane thermal conductivity up to 18.5 W·m−1·K−1 at 20 wt% carbon fiber content, which is 92.7 times that of pure matrix and 6.3 times that of the random structure. Moreover, the as-prepared material exhibits low hardness of 56 (Shore 00) and outstanding elastic compression performance of 51.4% compression under a pressure of 45 psi. These excellent properties are primarily attributed to the high orientation of the carbon fibers (CFs), thereby establishing a direct and effective thermal conductivity path in the vertical direction. In addition, the synergistic effect of carbon fibers and alumina particles is also beneficial for building thermal conduction pathways. Our work provides an insight to further research in fabricating high-performance flexible TIMs as a promising candidate for applying in advanced thermal management fields. • The composite achieves a thermal conductivity of 18.54 W·m−1·K−1. • The composites exhibit good elastic compliance under high through-plane thermal conductivity. • The synergistic effect of carbon fibers and alumina promotes the enhancement of thermal conductivity [ABSTRACT FROM AUTHOR]

• Thermal transport through SEI of Li-ion batteries was studied using MD simulations. • Three representative inorganic components of SEI were considered. • Impact of structural properties and temperatures were investigated. • Thermal conductivity of amorphous compounds is closely related to the components. • Results provide valuable insights for the design of electrolytes and SEI. The thermal behavior during operation of Lithium-ion batteries (LIBs) is widely concerned with respect to their electrochemical performance and safety. The solid electrolyte interphase (SEI) is a critical layer formed during electrochemical reactions in LIBs. A thorough understanding of SEI's thermal transport properties is essential to identify limitations within the internal heat transfer of LIBs. In this work, a computational study of the thermal transport through SEI was performed based on classical molecular dynamics (MD) simulations. Three representative inorganic components of SEI, namely Li 2 CO 3 , Li 2 O and LiF, were explored. First, the force fields were evaluated for accurate MD simulations. Subsequently, the impact of structural properties and temperatures on the thermal conductivities of SEI were investigated, followed by discussion on radial distribution functions and vibrational density of states. It was found that the comparison of thermal conductivity of the ordered crystals is Li 2 O > LiF > Li 2 CO 3. As temperature increases, the thermal conductivity of inorganic components decreases significantly. Additionally, it was discovered that the thermal conductivity of amorphous compounds is notably lower than that of ideal crystals and is closely related to the molar ratio of inorganic components. The results of this work can help understand the thermal transport properties of SEI and offer valuable insights for the design of electrolytes and SEI toward improving the thermal safety performance of LIBs. [ABSTRACT FROM AUTHOR]

Carboxymethyl starch (CST) was introduced to improve gelatin films and its practical application as edible high-performance films for food packaging and cooking was also investigated. The gelatin films modified by carboxymethyl starch exhibited the transparent appearance, tensile strength, barrier properties (oxygen, water vapor and UV light), and thermal performance (TGA, thermal shrinkage and heat-sealing strength). Resulting from the effect of electrostatic interaction modes on the properties of films, electrostatic repulsion could surpass electrostatic attraction in improving the tensile strength, oxygen barrier property and thermal stability of the films probably due to extensive physical entanglement without aggregation. Analysis of FTIR, zeta potential, interfacial dilatational rheology, shear rheological properties, XRD, Raman, SEM and AFM suggested that hydrogen bonding and electrostatic repulsion contributed to the excellent performance. The packaged food could also be cooked with the prepared film for porridge; and the film slightly influenced the shear rheological properties of porridge and imposed little effect on the odors (Electronic-Nose) of porridge. Hence, the gelatin films modified by carboxymethyl starch could potentially work as the edible inner packaging or the edible quantitative packaging for food, offer convenience for consumers, reduce the packaging waste and avoid an extra burden on environment. • CST improved mechanical and barrier properties (O 2 , moisture and UV light) of films. • CST enhanced the thermal stability, thermal shrinkage and sealing strength of films. • Hydrogen bonds and electrostatic repulsion improved compact matrix and performance. • Excessive CST granules caused the weak interactions and the property deterioration. • The packaged food could cook porridge and slightly affect the rheology and odors. [ABSTRACT FROM AUTHOR]

Biodegradable starch material is considered one of the best alternatives to traditional petroleum-based synthetic plastics. The effects of ultrasound (40 kHz) and ozone (20 g/h) modifications on corn starch were investigated using ultraviolet absorption, titration, Fourier transform, differential scanning calorimetry, and X-ray diffraction. As well as the effects of the dual modification on biodegradable films' morphology, thickness, water content, water solubility, moisture absorption, water vapor permeation, opacity, water contact angle, and mechanical and thermal properties were evaluated. For dual modification, the ultrasonic modification was carried out first, followed by oxidation under the same conditions as an individual modification. After ultrasonic and ozone modification, the crystallinity of starch decreased, and the solubility increased to some extent. Starch's swelling power and solubility increased by 4.90% and 159%, respectively, after 10 min of ozone treatment. The tensile strength of the films modified by ozone for 10 min increased by 276%, the elongation at break increased by 72.5%, the water contact angle of the films modified by ozone increased by 154%, and the water vapor permeability decreased by 34.7%. Compared with the natural and single-modified starch films, the dual-modified ones had lower water vapor transmittance, moisture absorption rate, and higher transparency. The water vapor permeability decreased by 32.2%, and the transparency increased by 73.7%. The modification in this study had little effect on the solubility of the films. [Display omitted] • The combination of ultrasonic and ozone was an innovation in the corn starch film. • Ultrasonic and ozonation dual-modification had positive effects on starch films. • The TS, WVP, and WCA of the O10 starch film were significantly improved. • The high MA of the oxidized starch film was reduced by ultrasonic treatment. [ABSTRACT FROM AUTHOR]

The demand for biopolymer-based green packaging has attracted growing attention because of its outstanding properties and consistency with clean environmental principle, unfortunately, its slow crystallization rate and narrow processing window are challenging. Inspired by combined functions in nanocellulose-based conductive hybrids, this work developed high-performance polylactic acid (PLA) composites using conductive cellulose nanofiber (CNFene). Interestingly, CNFene has multiple functions as highly graphitized carbon and abundant hydroxyl groups, delivering stimulating properties to PLA composites. As nucleating agents, 3 wt% CNFene has a carbon layer on the surface combined with a hydrogen bonding network synergistically enhancing the tensile and crystallization properties of PLA-C3, with a tensile strength of ∼ 53.7 MPa, crystallinity of ∼ 33.9 %, and 6.6 °C decrease in the cold crystallization temperature. Additionally, the compatibility between CNFene and PLA can form a multi-level "reinforcement" network structure, further improving thermal stability and barrier properties. The resultant PLA-C3 showed higher thermal decomposition onset temperature (T 0), wider melt-processing window (197.6 °C) and extremely lower overall migration levels in ethanol (68.6 μg/kg) and isooctane (16.3 μg/kg), due to that improved interaction between CNFene and PLA positively affects crystallization ability and kinetic/mechanism of PLA to meet the requirements of industrial and green biopackaging applications. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Bio-based copolyesters involving 2,6-pyridine structure with isosorbide as a second diol were synthesized. • Incorporation of isosorbide enhanced thermal properties of the pyridine-based polyesters. • Isosorbide significantly improved the mechanical properties of the pyridine-based polyesters. • The copolyesters showed high gas barrier properties. Driven by sustainable development and low-carbon policies, many high-performance bio-based polyesters are produced. Our previous work uncovered the high barrier but low thermal and mechanical properties of a renewable 2,6-pyridinedicarboxylic-based polyester. In this article, the copolymerization with isosorbide as a second diol is considered to ameliorate these properties. The chemical structures of copolyesters and the successful introduction of isosorbide were confirmed by FT-IR and 1H NMR. The 1H NMR spectra also allowed the calculation of isosorbide ratio in polymers. GPC revealed a decrease in molar masses with the increase of isosorbide ratio. Contact angle and water/gas permeation measurements disclosed an increase in hydrophilicity and water/gas permeability with the introduction of isosorbide. TGA and DSC analyses demonstrated an enhancement in thermal stability: 8 mol% of isosorbide to the total diol ratio increased the 5 % weight loss temperature (T 5%) by 9 °C, the maximum weight loss temperature (T max) by 8 °C and the glass transition temperature (T g) by 6 °C. DSC investigation showed that the incorporation of isosorbide significantly influenced the crystallization properties, particularly from the melt, by decreasing the crystallinity. XRD patterns indicated the presence of similar crystallization units in these polyesters. Tensile test revealed that incorporating 8 mol% of isosorbide greatly improved the mechanical properties by doubling Young's modulus and tripling the strength at break. Such enhancement in thermal and mechanical properties is important for high gas barrier food packaging applications of these polyesters. [ABSTRACT FROM AUTHOR]

Packaging materials based on lightweight and flexible thermoplastic/graphene composite films are gaining popularity in both the academic and industrial sectors. In this research work, graphene nanoplatelet (GNP) of 1–5 wt% was integrated into linear low density polyethylene (LLDPE) by employing melt compounding technique at 160 °C to produce flexible composite films. The LLDPE/GNP nanocomposite films were irradiated with doses up to 50 kGy using a 2.5 MeV electron beam accelerator in air at ambient temperature. The uniform distribution of GNP in the thermoplastic matrix obtained from FESEM analysis improved the samples' mechanical characteristics. As the GNP concentration in the LLDPE matrix increases, both the thermal stability and impermeability qualities (oxygen and water vapor) get significantly improved. Electron beam irradiation of film samples further enhances the physico-mechanical, thermal and gas barrier properties compared to non-irradiated composite films and neat LLDPE film. The tighter connections between graphene and LLDPE chains as well as the development of cross-linked networks by E-beam irradiation are responsible for the improved performance properties. Therefore, GNP incorporation as well as electron beam irradiation of thermoplastic nanocomposite films could be a viable alternative for producing high-performance and high-barrier flexible LLDPE/GNP composite films for packaging applications. • Combine effects of GNP addition and electron beam irradiation on properties of LLDPE composite films. • The fabricated flexible composite films irradiated up to the dose of 50 kGy. • The E-beam irradiated samples improved mechanical, thermal and barrier properties. • These irradiated, and high-barrier composite films for flexible packaging materials. [ABSTRACT FROM AUTHOR]