Molecular Structure Design Research Articles

Synergy between biphenyl mesomorphic structure and organic crystal phenazine for improving the intrinsic thermal conductivity of epoxy

The inherent low intrinsic thermal conductivity of epoxy resin severely restricts its potential application, making it difficult to meet the growing demand of energy, electrical and electronic technologies. The liquid crystal epoxy resin, which is wildly employed to improve the intrinsic thermal conductivity of epoxy resin, is constrained by its complex molecular structure design and synthesis procedures. In this work, the rigid group of 4,4’-dihydroxybiphenyl was introduced into the main chain of epoxy resin by ring-opening polymerization (ROP) to change the molecular structure of epoxy resin. The introduction of biphenyl groups enhances the orderliness of molecular structure and forms hydrogen bonds between molecules, which further enhances the transport of intramolecular phonons. The thermal conductivity of the graft modified epoxy resin (GMR) after DDM curing is 0.30 W·m-1·K-1. After adding of organic crystal phenazine (PNE) to the GMR matrix, the inherent strong crystallization behaviors of PNE can accelerate the regularity arrangement of rigid groups in GMR, and promote the nucleation and crystallization process of GMR/PNE. The thermal conductivity of GMR/PNE after DDM curing can reach 0.33 W·m-1·K-1. It is 165% of the thermal conductivity of traditional epoxy resin, which is 0.2 W·m-1·K-1. This study will provide a new method to improve the intrinsic thermal conductivity of polymer materials.

Reviving Multivalent‐Metal Anodes in Simple Salt Electrolytes via Component Modifier Design

AbstractUsing combinatory electrolyte blends represents an imperative avenue to achieve good magnesium (Mg)‐metal anode compatibility and commercial feasibility in fields of promising rechargeable Mg batteries. However, fundamental challenges of how to manipulate component modifier reactivity on molecule level still remain to be solved. Here, molecular structure design concepts towards seeking bromophenyl complex‐based component modifiers has been proposed according to implications of electron‐donating and/or electron‐withdrawing substituents on Br−C bond dissociation reactivity. Exceptional Mg electro‐plating/stripping properties (a stable cycle life of 250 days in Mg//Cu asymmetric cells) have been firstly achieved in a simple salt electrolyte with 1‐(3‐bromophenyl)‐N,N‐dimethylmethanamine (BPDMA) as optimal component modifier. Comprehensive analyses disclose the unique electrochemically‐active Br‐containing ion‐pairs formation, such as [(Mg2+)2(TFSI−)Br−]2+ and [(Mg2+)2(TFSI−)(Br−)(G2)2]2+, which results in the much thinner Br− containing and organic–inorganic mixed interphases on Mg‐metal anodes. Furthermore, conventional MgSO4‐based electrolytes and even calcium (Ca)‐ion electrolytes can also be revived by similar strategy, demonstrating its generality and superiority.

Efficient Photocatalytic Oxidative Coupling of Amines under Visible Light Using a Trioporphyrins-Based Covalent Triazine Framework.

Porphyrins-based porous organic polymers (POP) were widely used in photocatalytic oxidation under visible light owing to their superiority in the activation of oxygen. In contrast, the efficiency is usually limited due to the fast recombination and slow electron transfer. Herein, we report the use of a trioporphyrins-based covalent triazine framework (Por-CTF) as visible-light-active photocatalyst for the coupling oxidative of amines to imines at room temperature. By incorporating the π-conjugated porphyrin building block led to the enhanced electron transport between molecules, and the extended recombination time of excited electrons. The photocatalytic efficiency of Por-CTF is superior to that of polymer in absence of triazine framework (POP-TSP), which was prepared by radical polymerization using tetra-(4-vinylphenyl) porphyrin (TSP) as monomer. Por-CTF catalyst presented excellent efficiency for various primary amines and stability. This work provides a reasonable guidance of catalyst molecular structure design for enhancing efficiency in the photocatalytic oxidation.

Quasi-Planar Core Based Spiro-Type Hole-Transporting Material for Dopant-Free Perovskite Solar Cells.

Hole-transporting material (HTMs) are crucial for obtaining the stability and high efficiency of perovskite solar cells (PSCs). However, the current state-of-the-art n-i-p PSCs relied on the use of 2,2',7,7'-tetrakis(N,N-di-p-methoxyphenylamine)-9,9'-spirobifluorene (spiro-OMeTAD) exhibit inferior intrinsic and ambient stability due to the p-dopant and hydrophilic Li-TFSI additive. In this study, a new spiro-type HTM with a critical quasi-planar core (Z-W-03) is developed to improve both the thermal and ambient stability of PSCs. The results suggest that the planar carbazole structure effectively passivates the trap states compared to the triphenylamine with a propeller-like conformation in spiro-OMeTAD. This passivation effect leads to the shallower trap states when the quasi-planar HTMs interact with the Pb-dimer. Consequently, the device using Z-W-03 achieves a higher Voc of 1.178 V compared to the spiro-OMeTAD's 1.155 V, resulting in an enhanced efficiency of 24.02 %. In addition, the double-column π-π stacking of Z-W-03 results in high hole mobility (~10-4 cm2 V-1 s-1) even without p-dopant. Moreover, when the surface interface is modified, the undoped Z-W-03 device can achieve an efficiency of nearly 23 %. Compared to the PSCs using spiro-OMeTAD, those with Z-W-03 exhibit enhanced stability under N2 and ambient conditions. This superior performance is attributed to the quasi-planar core structure and the presence of multiple CH/π and π-π intermolecular stacking in Z-W-03. The multiple CH/π and π-π intermolecular contacts of HTMs can improve the hole hopping transport. Therefore, it is imperative to focus on further molecular structure design and optimization of spiro-type HTMs incorporating quasi-planar cores and carbazole moieties for the commercialization of PSCs.

Quasi‐Planar Core Based Spiro‐Type Hole‐Transporting Material for Dopant‐Free Perovskite Solar Cells

AbstractHole‐transporting material (HTMs) are crucial for obtaining the stability and high efficiency of perovskite solar cells (PSCs). However, the current state‐of‐the‐art n‐i‐p PSCs relied on the use of 2,2′,7,7′‐tetrakis(N,N‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene (spiro‐OMeTAD) exhibit inferior intrinsic and ambient stability due to the p‐dopant and hydrophilic Li‐TFSI additive. In this study, a new spiro‐type HTM with a critical quasi‐planar core (Z‐W‐03) is developed to improve both the thermal and ambient stability of PSCs. The results suggest that the planar carbazole structure effectively passivates the trap states compared to the triphenylamine with a propeller‐like conformation in spiro‐OMeTAD. This passivation effect leads to the shallower trap states when the quasi‐planar HTMs interact with the Pb‐dimer. Consequently, the device using Z‐W‐03 achieves a higher Voc of 1.178 V compared to the spiro‐OMeTAD's 1.155 V, resulting in an enhanced efficiency of 24.02 %. In addition, the double‐column π–π stacking of Z‐W‐03 results in high hole mobility (~10−4 cm2 V−1 s−1) even without p‐dopant. Moreover, when the surface interface is modified, the undoped Z‐W‐03 device can achieve an efficiency of nearly 23 %. Compared to the PSCs using spiro‐OMeTAD, those with Z‐W‐03 exhibit enhanced stability under N2 and ambient conditions. This superior performance is attributed to the quasi‐planar core structure and the presence of multiple CH/π and π–π intermolecular stacking in Z‐W‐03. The multiple CH/π and π–π intermolecular contacts of HTMs can improve the hole hopping transport. Therefore, it is imperative to focus on further molecular structure design and optimization of spiro‐type HTMs incorporating quasi‐planar cores and carbazole moieties for the commercialization of PSCs.

Regulating Intermolecular Hydrogen Bonds in Organic Cathode Materials to Realize Ultra‐stable, Flexible and Low‐temperature Aqueous Zinc‐organic Batteries

Rational design of molecular structures is one of the effective strategies to obtain high‐performance organic cathode materials. However, besides the optimization of single‐molecule structures, the influence of the "weak" interaction forces (e.g. hydrogen bonds) in organic cathode materials on the performance of batteries should be fully considered. Herein, three organic small molecules with different numbers of hydroxyl groups (namely nitrogen heterocyclic tetraketone (DAB), monohydroxyl nitrogen heterocyclic dione (HDA), dihydroxyl nitrogen heterocyclic dione (DHT)) were selected as the cathodes of aqueous zinc ion batteries (AZIBs), and the effect of the intermolecular hydrogen bonds on their electrochemical performance was studied for the first time. Clearly, the stable hydrogen‐bond networks built through the hydroxyl groups significantly enhance the cycle stability of organic small‐molecule cathodes and facilitate rapid proton conduction between the hydrogen‐bond networks through the Grotthuss mechanism, thereby endowing them with excellent rate performance. In addition, a larger and more dense two‐dimensional hydrogen‐bond network can be constructed through multiple hydroxyl groups, further enhancing the structural stability of organic small‐molecule cathodes, giving them better cycle tolerance, excellent rate performance, and extreme environmental tolerance.

Regulating Intermolecular Hydrogen Bonds in Organic Cathode Materials to Realize Ultra-stable, Flexible and Low-temperature Aqueous Zinc-organic Batteries.

Rational design of molecular structures is one of the effective strategies to obtain high-performance organic cathode materials. However, besides the optimization of single-molecule structures, the influence of the "weak" interaction forces (e.g. hydrogen bonds) in organic cathode materials on the performance of batteries should be fully considered. Herein, three organic small molecules with different numbers of hydroxyl groups (namely nitrogen heterocyclic tetraketone (DAB), monohydroxyl nitrogen heterocyclic dione (HDA), dihydroxyl nitrogen heterocyclic dione (DHT)) were selected as the cathodes of aqueous zinc ion batteries (AZIBs), and the effect of the intermolecular hydrogen bonds on their electrochemical performance was studied for the first time. Clearly, the stable hydrogen-bond networks built through the hydroxyl groups significantly enhance the cycle stability of organic small-molecule cathodes and facilitate rapid proton conduction between the hydrogen-bond networks through the Grotthuss mechanism, thereby endowing them with excellent rate performance. In addition, a larger and more dense two-dimensional hydrogen-bond network can be constructed through multiple hydroxyl groups, further enhancing the structural stability of organic small-molecule cathodes, giving them better cycle tolerance, excellent rate performance, and extreme environmental tolerance.

NIR-activatable nitric oxide generator based on nanoparticles loaded small-molecule photosensitizers for synergetic photodynamic/gas therapy

BackgroundTherapeutic approaches that combine conventional photodynamic therapy (PDT) with gas therapy (GT) to sensitize PDT are an attractive strategy, but the molecular structure design of the complex lacks effective guiding strategies.ResultsHerein, we have developed a nanoplatforms Cy-NMNO@SiO2 based on mesoporous silica materials loaded NIR-activatable small-molecule fluorescent probe Cy-NMNO for the synergistic treatment of photodynamic therapy/gas therapy (PDT/GT) in antibacterial and skin cancer. The theoretical calculation results showed that the low dissociation of N-NO in Cy-NMNO enabled it to dissociate effectively under NIR light irradiation, which is conducive to produce Cy and NO. Cy showed better 1O2 generation performance than Cy-NMNO. The cytotoxicity of Cy-NMNO obtained via the synergistic effect of GT and PDT synergistically enhances the effect of photodynamic therapy, thus achieving more effective tumor treatment and sterilization than conventional PDT. Moreover, the nanoplatforms Cy-NMNO@SiO2 realized efficient drug loading and drug delivery.ConclusionsThis work not only offers a promising approach for PDT-GT synergistic drug delivery system, but also provides a valuable reference for the design of its drug molecules.Graphical

Free-Standing Poly(vinyl benzoquinone)/Reduced Graphene Oxide Composite Films as a Cathode for Lithium-Ion Batteries.

Quinones with a rapid reduction-oxidation rate are promising high-capacity cathodes for lithium-ion batteries. However, the high solubility of quinone molecules in polar organic electrolytes results in low cycle stability, while their low electric conductivity causes low utilization of electrode materials. In this article, a new p-benzoquinone derivative, poly(vinyl benzoquinone) (PVBQ), is designed and synthesized, and a solution-based method of preparing free-standing PVBQ/reduced graphene oxide (RGO) composite films is developed. PVBQ has a high theoretical specific capacity (400 mA h g-1) because of its low dead moiety mass. In the produced composite films, PVBQ nanoparticles are uniformly dispersed on RGO sheets, which endows the composite films with high electric conductivity and inhibits the dissolution of PVBQ through strong adsorption. As a result, the composite films show a high active material utilization, high practical specific capacity, and excellent cycling stability. PVBQ in the composite membrane containing 60.2 wt % RGO deliver 244 mA h g-1 capacity after 200 charge-discharge cycles at a current density of 300 mA g-1. At a current density of 1500 mA g-1, the reversible specific capacity is still 170 mA h g-1. This work provides a high-performance cathode material for lithium-ion batteries, and the molecular structure and electrode structure design ideas are also instructive for developing other organic electrode materials.

A bifunctional thiobenzamide additive for improvement of cathode kinetics and anode stability in lithium-sulfur batteries

Lithium-sulfur batteries (LSBs) are considered as the key candidates for the next generation of energy storage devices. However, the practical applications of LSBs are hindered by the slow conversion of sulfur species and the inhomogeneous Li+ precipitation /stripping of lithium anode. Here, we report a bifunctional thiobenzamide electrolyte additive, 4-(trifluoromethyl) thiobenzamide (TFBCA), which synergistically improves cathode redox kinetics and anode stability. Polysulfides (LiPSn) are in-situ transferred to more reactive polysulfide intermediates (T-Sn-T), which significantly improve the liquid–solid reduction process by promoting the deposition dimension of Li2S. A LiF/Li3N-rich solid electrolyte interphase is formed with TFBCA, the uniform lithium deposition is achieved and the growth of lithium dendrites is suppressed. Correspondingly, LSBs with TFBCA show a high capacity (888 mAh·g−1 at 5C) and cycling stability (0.055 % per cycle after 600 cycles at 2C). Even under high sulfur loading (7.1 mg·cm−2) and low E/S ratio of 7, the LSBs also exhibit an areal capacity of 7 mAh·cm−2 after 50 cycles, and an energy density of 314 Wh·kg−1 is achieved for the pouch cell. This work demonstrates an efficient additive strategy through molecular structure design to construct high-performance LSBs.

Effect of Alkyl Chain Length on Room-Temperature Phosphorescent Probes for Mitochondria-Targeted Imaging.

Room temperature phosphorescent (RTP) probes have significant advantages in the field of cellular imaging, as their long lifetimes can prevent interference from the spontaneous fluorescence of organisms. Persulfurated arenes are a typical RTP molecular parent nucleus. However, most of the applied research on them is concentrated in anti-counterfeiting, and relatively few are applied in bioimaging. The molecular structure and structure-property relationship of them applied in bioimaging are still in the exploration stage. In this work, we have designed and synthesized a series of RTP probes with long alkyl chains, all of which can be targeted to mitochondria with good water solubility for mitochondria-targeted imaging. Further, we investigated the effect of alkyl chains on the luminescence properties of these probes, and found that the moderate length of alkyl chains can realize the enhancement of phosphorescence intensity. We believe this finding is of guiding significance for the design of molecular structures in the field of RTP probes.

Reviving Multivalent-Metal Anodes in Simple Salt Electrolytes via Component Modifier Design.

Using combinatory electrolyte blends represents an imperative avenue to achieve good magnesium (Mg)-metal anode compatibility and commercial feasibility in fields of promising rechargeable Mg batteries. However, fundamental challenges of how to manipulate component modifier reactivity on molecule level still remain to be solved. Here, molecular structure design concepts towards seeking bromophenyl complex-based component modifiers has been proposed according to implications of electron-donating and/or electron-withdrawing substituents on Br-C bond dissociation reactivity. Exceptional Mg electro-plating/stripping properties (a stable cycle life of 250 days in Mg//Cu asymmetric cells) have been firstly achieved in a simple salt electrolyte with 1-(3-bromophenyl)-N,N-dimethylmethanamine (BPDMA) as optimal component modifier. Comprehensive analyses disclose the unique electrochemically-active Br-containing ion-pairs formation, such as [(Mg2+)2(TFSI-)Br-]2+ and [(Mg2+)2(TFSI-)(Br-)(G2)2]2+, which results in the much thinner Br- containing and organic-inorganic mixed interphases on Mg-metal anodes. Furthermore, conventional MgSO4-based electrolytes and even calcium (Ca)-ion electrolytes can also be revived by similar strategy, demonstrating its generality and superiority.

Low modulus hydrogel-like elastomer sensors with ultra-fast self-healing, underwater self-adhesion, high durability/stability and recyclability for bioelectronics

Flexible sensors simultaneously with property of hydrogel-like low modulus/room temperature ultra-fast self-healing and with elastomer-like durability /environmental stability and underwater adhesion for bioelectronics has not been reported. A low modulus hydrogel-like elastomer that achieves ultrafast self-healing through molecular chain entanglement at room temperature was prepared based on furfuryl alcohol-modified poly(sebacate glyceride) (PGS) prepolymer, furfuryl alcohol-modified poly(ionic liquid) and bismaleimide by Diels-Alder (DA) reaction. The conductive elastomer-based flexible sensors exhibit hydrogel-like properties of low modulus (6.41 kPa) and ultra-fast self-healing (98 % self-healing efficiency within 5 s). The elastomer also possesses rapid subzero and underwater self-healing properties within 5 s. Moreover, PGS-0.2DA-0.2PIL exhibits pressure sensitive adhesive properties and can be adhered/re-adhered in water. The flexible sensor shows elastomer-like high durability, high environmental stability, multiple recyclability and reusability, and it exhibits wide detection ranges, fast response time, low hysteresis, anti-freezing, anti-bacterial and good biocompatibility. The flexible sensors can accurately identify micro-expressions/eye rotation, monitor human movement/health, detect ECG/EMG signals and control robotic arm movements. In conclusion, a new strategy for design of hydrogel-like conductive elastomers via molecular structure design is proposed, and the elastomers-based flexible sensors with low modulus, rapid self-healing and durability/environmental stability show great promising for bioelectronic applications.

Regulating the microstructure and hydrophilicity of cellulose nanofibers using taurine and the application in humidity sensor and actuator

Exploring the interrelationships between microstructure, hydrophilicity, humidity response, and material stability through molecular structure design and low-cost preparation, and manufacturing sensing and driving materials with a perfect balance between structures and properties is crucial for biomimetic robots and intelligent devices. Herein, inspired by the capillary phenomenon, the cellulose nanofiber (CNF) was grafted by using taurine to form the “micro cilia” microstructure on its surface (CNF-TAU). By controlling the cilia density and symmetry, the hydrophilicity of the materials was adjusted, and the water was allowed to quickly separate from the inside of the materials, which led to improving the humidity sensitivity and stability of materials. Concretely, compared with CNF, the puncture load, tearing strength, and elongation at break of the CNF-TAU-1.0 were improved by 11.95 times, 2.16 times, and 15.6 %, respectively, and excellent tensile strength was presented. Moreover, the hydrophilicity of CNF-TAU was first weakened and then enhanced with TAU content increasing. At last, the CNF-TAU-1.0 (WCA 55.43°) was selected and blended with single-layer graphene oxide (GO) to prepare CNF-TAU/GO composite films by vacuum filtration. The results indicated that the composite film had excellent mechanical (room and high humidity), humidity responsiveness, and humidity gradient-driven properties. In detail, the CNF-TAU/GO-10 % composite film had the generated stable induced voltage (68.4 mV), the fast response/recovery time (0.3 s/0.9 s), the large max. bending angle (178.4°), and the drive cycle stability (1000 cycles). Moreover, the composite film could be applied to produce biomimetic soft robots, such as human fingers and butterfly-shaped robots.

Fabricating epoxy vitrimer with excellent mechanical and dynamic exchange properties via network topology design

Epoxy vitrimers are a novel type of environmentally friendly materials that possess exceptional properties, including self-healing, recyclability, and reprocessability. They offer a solution to the issue of traditional thermosetting epoxy resins, which are not recyclable. However, the incorporation of dynamic bonds typically results in a decrease in mechanical properties. Therefore, achieving a balance between the mechanical properties and dynamic exchange capability is crucial. In this work, a series of epoxy resin systems with various topological network characteristics were prepared by adjusting the proportions of bisphenol A epoxy resin (E51) and polyethylene glycol diglycidyl ether (EGDGE) epoxy resins in combination with a curing agent containing vinylogous urethane (VU) dynamic bonds. Through further study, we found that with the increase of E51 content, the cross-linking density of the network gradually increased, and the flexibility of the macromolecular chains decreased (favorable for enhancing the material's mechanical performance). Simultaneously, the free volume of the network gradually increased, and the tightness of the macromolecular chains decreased (favorable for improving the material's dynamic exchange ability). These two effects combined to make E51-40 exhibit the lowest activation energy for dynamic covalent bond exchange and the lowest topological transition temperature. Compared to E51-0, the tensile strength and glass transition temperature of E51-40 were improved by 22.23 % and 25.30 %, respectively. After remoulding experiment at 140 °C for 1h, the material exhibited a high tensile strength recovery of 91.34 %. Therefore, starting from the design of molecular structure, adjusting the network topology is an effective means to balance the mechanical and dynamic exchange properties of epoxy vitrimers. This provides experimental guidance and theoretical insights for designing high-performance epoxy vitrimer materials.

Preparation and Properties of Multiple Dynamic Crosslinked Poly(siloxane‐urethane)

AbstractSelf‐healing poly(siloxane‐urethane) materials have garnered significant interest among researchers, owing to their superior resistance to high and low temperatures, solvents, corrosion, and biocompatibility. Nevertheless, most existing self‐healing poly(siloxane‐urethane) materials face challenges, including limited repair conditions and the challenge of balancing mechanical properties with repair efficiency. In this research, we introduced hydrogen bonds, metal coordination bonds, π–π bonds, and reversible ring structures into the poly(siloxane‐urethane) system through molecular chain structure design, successfully developing a multi‐dynamic cross‐linked poly(siloxane‐urethane) (PU‐Si), a development rarely reported in prior studies. This study examines the impact of varying amounts of hydroxyl‐terminated polydimethylsiloxane (PDMS‐OH) on the properties of PU‐Si. The results indicate that PU‐Si, regardless of the amount of PDMS‐OH added, can self‐healing under conditions of heating at 60 °C, and exposure to ultraviolet and infrared radiation. Specifically, when the PDMS‐OH addition reaches 1.0 g, the material exhibits superior mechanical properties and self‐healing efficiency, achieving a mechanical strength of 9.68 MPa and a self‐healing efficiency of 86.6 %. This material shows significant application potential in areas such as electronic skins, flexible sensors, and brain‐computer interfaces.

Stable aryl-armed dihydrophenazines-based radicals

Stable organic radicals have long been desired for applications in quantum information science and optoelectronic semiconductor. Weakening the reactivity of unpaired electrons is an efficient strategy for fabrication stable radicals. The dual aryl/alkyl-substituted dihydrophenazine (DArPZ/DAlPz) derivatives have attracted a lot of attention due to their potential radical stability characteristics. In this work, three stable DArPZ-based radical cation compounds are obtained through tuning peripheral substituted groups with different electron donating/withdrawing effect to discuss their reactive activity changes in different solvent and aggregate state. Employing systematic experiments from crystallography, spectroscopy and theoretical calculation analyses, some referenceable molecular structure design strategy and the analytical model of evaluating radical behavior are formed and summarized. In addition, radical cations have good masking ability without continuous electrical circulating, implying their application in light-shading electrochromic devices. This work is referable on the design of stable radicals, the establishment of dynamic evaluation strategies and theoretical analysis models for their reactivity.

Synthesis of complex polyolester as base stock for high-performance lubricant: Optimization, characterization, and evaluation

Synthetic esters are expected to have broad application prospects in the high-end lubrication sectors owing to their fascinating custom-tailored properties. Herein, we synthesized a novel complex polyolester (CPE) via a stepwise esterification procedure using stannous oxide as a heterogeneous catalyst. Response surface methodology coupled with the Box–Behnken design (BBD-RSM) was employed to optimize the experimental parameters and elucidate the interactions among the operating variables on the low-temperature fluidity of CPE. The optimization results indicated that the lowest pour point (−42 °C) could be obtained under the catalyst dosage of 1.2 wt%, the first step reaction temperature of 164 °C, the first step reaction time of 100 min, and the second step reaction temperature of 178 °C. Particularly, there is a significant interactive effect between the catalyst dosage and the second step reaction temperature. Followed by the molecular distillation of the crude ester prepared under the optimal conditions, the refining results revealed that the non-ideal components had been effectively removed and the total acid number of the final product was substantially reduced to below 0.1 mg KOH/g. The molecular structures of the as-synthesized esters were confirmed by FT-IR, NMR, GPC, ESI–MS, and TGA characterization and their physicochemical and tribological properties were also evaluated according to standard methods. In view of the unique molecular structural design, the developed CPE displayed plentiful prominent technological specificities, which makes it plausible to be served as a potential high-performance base stock. Therefore, the findings of this study may provide some valuable insights for expanding the application scope of synthetic esters into various special industrial scenarios.

A Formula to Customize Cathode Binder for Lithium Ion Battery

AbstractThe binder plays a crucial role in binding the solid electrode components and fixing them to the current collector, ensuring good contact and transformation. The high‐energy‐density cathode poses several challenges for the Polyvinylidene fluoride (PVDF) binder, such as high electrode potential, mass loading, and binding force. Although various new binders are proposed to optimize the electrochemical performance of cathode, the design focus and mechanisms often lack universality. This study introduces a design strategy for the cathode binder from the perspective of molecular structure design. The performance of the binder is optimized by adjusting the soft‐hard and hydrophilic‐hydrophobic balances of the polymer, and the effectiveness of this strategy is verified in the LiCoO2 (LCO) system. The optimized copolymer binder improves the cycling stability of the LCO electrode under high load and low binder content conditions and even achieves stable operation at a high charging voltage of 4.6 V. The mechanism for improving the performance of LCO electrodes is that the optimized binder stabilizes the electrode structure, the active material particle structure, and the active material interface. This design strategy provides a valuable reference for customizing cathode binders.

Loosely Bounded Exciton with Enhanced Delocalization Capability Boosting Efficiency of Organic Solar Cells.

In organic solar cells (OSCs), electronacceptorshaveundergone multipleupdates, from the initial fullerene derivatives, to the later acceptor-donor-acceptor type non-fullerene acceptors (NFAs), and now to Y-series NFAs, based on which efficiencies have reached over 19%. However, the key property responsible for further improved efficiency from molecular structure design is remained unclear. Herein, the material properties are comprehensively scanned by selecting PC71BM, IT-4F, and L8-BO as the representatives for different development stages of acceptors. For comparison, asymmetric acceptor of BTP-H5 with desired loosely bounded excitons is designed and synthesized. It's identified that the reduction of intrinsically exciton binding energy (Eb) and the enhancement of exciton delocalization capability act as the key roles in boosting the performance. Notably, 100 meV reduction in Eb has been observed from PC71BM to BTP-H5, correspondingly, electron-hole pair distance of BTP-H5 is almost two times over PC71BM. As a result, efficiency is improved from 40% of S-Q limit for PC71BM-based OSC to 60% for BTP-H5-based one, which achieves an efficiency of 19.07%, among the highest values for binary OSCs. This work reveals the confirmed function of exciton delocalization capability quantitatively in pushing the efficiency of OSCs, thus providing an enlightenment for future molecular design.