Rational Design of Star-shaped Molecules with Benzene Core and Naphthalimide Derivatives End Groups as Organic Light-emitting Materials

A series of star-shaped molecules with benzene core and naphthalimides derivatives end groups have been designed to explore their optical,electronic,and charge transport properties as charge transport and/or luminescent materials for organic light-emitting diodes（OLEDs）. The frontier molecular orbitals（FMOs） analysis has turned out that the vertical electronic transitions of absorption and emission are characterized as intramolecular charge transfer（ICT）. The calculated results show that the optical and electronic properties of star-shaped molecules are affected by the substituent groups in N-position of 1,8-naphthalimide ring. Our results suggest that star-shaped molecules with n-butyl（1）,benzene（2）,thiophene（3）,thiophene S？,S？-dioxide（4）,benzo[c][1,2,5]thiadiazole（5）,and 2,7a-dihydrobenzo[d]thiazole（6） fragments are expected to be promising candidates for luminescent and electron transport materials for OLEDs. This study should be helpful in further theoretical investigations on such kind of systems and also to the experimental study for charge transport and/or luminescent materials for OLEDs.

Integrating Levels of Hierarchical Organization in Porous Organic Molecular Materials

Porous organic molecular materials(POMMs)are an emergent class of molecular-based materials characterized by the formation of extended porous frameworks,mainly held by non-covalent interactions.POMMs represent a variety of chemical families,such as hydrogen-bonded organic frameworks,porous organic salts,porous organic cages,C-H···πmicroporous crystals,supramolecular organic frameworks,π-organic frameworks,halogen-bonded organic framework,and intrinsically porous molecular materials.In some porous materials such as zeolites and metal organic frameworks,the integration of multiscale has been adopted to build materials with multifunctionality and optimized properties.Therefore,considering the significant role of hierarchy in porous materials and the growing importance of POMMs in the realm of synthetic porous materials,we consider it appropriate to dedicate for the first time a critical review covering both topics.Herein,we will provide a summary of literature examples showcasing hierarchical POMMs,with a focus on their main synthetic approaches,applications,and the advantages brought forth by introducing hierarchy.

Effects of Functional Organic Materials on Morphological Indexes,Quality and Yield of Watermelon

[Objectives]This study was conducted to explore suitable organic compound application models for watermelon growth.[Methods]With watermelon hybrid material"M22×P18"as the test material,the effects of four functional organic materials,namely garlic straw treatment(T_(1)),onion straw treatment(T_(2)),garlic straw+sheep manure treatment(T_(3))and onion straw+chicken manure treatment(T_(4)),on the morphological indexes,yield and quality of watermelon were investigated.[Results]Different functional organic materials had different effects on morphological indexes,yield and quality of watermelon.The morphological indexes,nutritional quality indexes and yield of watermelon treated with garlic straw and sheep manure compound(T_(3))and onion straw and chicken manure compound(T_(4))were significantly higher than those treated simply with garlic straw(T_(1))and onion straw(T_(2)),and T_(3)performed relatively better.Compared with treatment T_(2),T_(3)showed a stem diameter,vine length and leaf number increasing by 43.05%,46.69%and 40.77%respectively,central sugar and side sugar contents increasing by 11.72%and 21.90%respectively,and a yield increasing by 42.91%,with significant differences from T_(2).[Conclusions]This study provides technical support for high-quality and high-yielding cultivation of watermelon.

Effects of Functional Organic Materials on Fresh Weight,Quality,Single-melon Weight and SPAD Value of Watermelon

[Objectives]This study was conducted to explore a functional organic material formula suitable for watermelon cultivation with high quality,high yield and high efficiency.[Methods]Four treatments were set in the experiment,namely four functional organic materials,garlic straw treatment(T_(1)),onion straw treatment(T_(2)),garlic straw+sheep manure treatment(T_(3))and onion straw+chicken manure treatment(T_(4)),to investigate the effects of different functional organic materials on fresh weight,quality,single-melon weight and SPAD value of watermelon.[Results]The effects of different functional organic materials on fresh weight,quality,single-melon weight and SPAD value of watermelon were quite different.The fresh weight,quality,single-melon weight and SPAD value of watermelon were higher in treatment T_(3)applying garlic straw and sheep manure and treatment T_(4)applying onion straw and chicken manure than in treatment T_(1)applying garlic straw and treatment T_(2)applying onion straw.Specifically,the fresh weight of whole plant was the highest in treatment T_(3),followed by treatment T_(4),and the values of the two treatments increased by 12.83%and 5.94%respectively compared with treatment T_(1);the weight of single melon was the highest in treatment T_(3),followed by treatment T_(4),and the values of the two treatments increased by 42.45%and 31.77%respectively compared with treatment T_(2);and the SPAD values of treatments T_(3)and T_(4)were significantly higher than those of treatments T_(1)and T_(2),and the value of treatment T_(3)was the largest.[Conclusions]This study provides theoretical support for the popularization and application of fertilization techniques combining organic fertilizers and reduced chemical fertilizers for watermelon.

Towards green asphalt materials with lower emission of volatile organic compounds: A review on the release characteristics and its emission reduction additives

Recently, researchers in the road field are focusing on the development of green asphalt materials with loweremission of volatile organic compounds (VOCs). The characterization methodology of asphalt VOCs and theinfluencing factors on VOCs release have always been the basic issue of asphalt VOCs emission reduction research.Researchers have proposed a variety of asphalt VOCs characterization methodologies, which also have mutuallyirreplaceable characteristics. Asphalt VOCs volatilization is affected by many factors. In this study, asphalt VOCscharacterization methodologies were summarized, including their advantages, disadvantages, characteristics andapplicable requirements. Subsequently, the influencing factors of VOCs release, such as asphalt types and environment conditions, are summarized to provide theoretical support for the emission reduction research. Theclassification and mechanism of newly-development asphalt VOCs emission reduction materials are reviewed. Thereduction efficiencies are also compared to select better materials and put forward the improvement objective ofnew materials and new processes. In addition, the prospects about development of VOCs release mechanism ofasphalt materials during the full life cycle and feasibility research of high-efficiency composite emission reductionmaterials in the future were put forward.

Organic cathode materials for rechargeable magnesium-ion batteries:Fundamentals, recent advances, and approaches to optimization

Rechargeable magnesium-ion batteries(MIBs) are favorable substitutes for conventional lithium-ion batteries(LIBs) because of abundant magnesium reserves, a high theoretical energy density, and great inherent safety. Organic electrode materials with excellent structural tunability,unique coordination reaction mechanisms, and environmental friendliness offer great potential to promote the electrochemical performance of MIBs. However, research on organic magnesium battery cathode materials is still preliminary with many significant challenges to be resolved including low electrical conductivity and unwanted but severe dissolution in useful electrolytes. Herein, we provide a detailed overview of reported organic cathode materials for MIBs. We begin with basic properties such as charge storage mechanisms(e.g., n-, p-, and bipolartype), moving to recent advances in various types of organic cathodes including carbonyl-, nitrogen-, and sulfur-based materials. To shed light on the diverse strategies targeting high-performance Mg-organic batteries, elaborate summaries of various approaches are presented.Generally, these strategies include molecular design, polymerization, mixing with carbon, nanosizing and electrolyte/separator optimization.This review provides insights on exploring high-performance organic cathodes in rechargeable MIBs.

Decomposition of Different Organic Materials and Variation of Active Organic Carbon and Nitrogen Contents in Tobacco-planted Soil

The oilseed cake, vetch, rapeseed straw, wheat straw and corn straw were buried in tobacco-planted soil. The decomposition rates, the variation of active organic C and N contents in the residues and the relationship between active organic C and N contents and decomposition rate were investigated. The results showed the decomposition rates of different organic materials were all high in the early period and then low in the late period. Among the organic materials, the decomposition rates ranked as oilseed cake 〉 vetch 〉 wheat straw and rapeseed straw 〉 corn straw. The decomposition rate was positively related to total N content （P〈0.01）, but was negatively related to the active organic C/N ratio （P〈0.01）. However, there was no significant relationship between decomposition ratio and active organic C content. With the proceeding of decomposition, the active organic C content and the total N content in rapeseed straw, vetch, wheat straw and corn straw all trended to increase, but the active organic C/N ratio trended to decrease. However, the variation of active organic C content, total N content and active organic C/N ratio in oilseed cake was on the contrary.

Numerical Study of Optimization of Layer Thickness in Bilayer Organic Light-Emitting Diodes

A numerical model for bilayer organic light-emitting diodes (OLEDs) is developed under the basis of trapped charge limited conduction.The dependences of the current density on the layer thickness,trap properties and carrier mobility of the hole transport layer (HTL) and emission layer (EML) in bilayer OLEDs of the structure anode/HTL/EML/cathode are numerically investigated.It is found that,for given values of the total thickness of organic layers,reduced depth of trap,total density of trap,and carrier mobility of HTL as well as EML,there exists an optimal thickness ratio of HTL to EML,by which a maximal quantum efficiency can be achieved.Through optimization of the thickness ratio,an enhancement of current density and quantum efficiency of as much as two orders of magnitude can be obtained.The dependences of the optimal thickness ratio to the characteristic trap energy,total density of trap and carrier mobility are numerically analyzed.

Effects of Combined Application of Water Retaining Agents and Organic Materials on Water Holding Characteristics of Yellow Brown Soils in Hilly Areas

[Objective] The aim was to reduce fertilizer and water losses caused by surface runoffs in rainy season and provide scientific references for soil moisture in arid season. [Method] The application proportion of complex water-holding organic materials was determined by multi-factor mixture experiment and the curve changes of soil moisture characters were tested to analyze water-holding capacity and water availability of soils. [Result] The initial moisture content of soil with different mixture proportions improved in varying degrees. For example, when water-retention agents reached 0.4% and 0.6% of soil weight, soil moisture contents were 69.0% and70.5%, respectively, which showed significant differences with the control（S0.0）. Soil dehydration terms in different treatments all extended, prolonging in the range of4.6-14 d. [Conclusion] The applications of water-retention agent and organic material would improve water-holding capacity of hills and low mountains, and initial moisture content and dehydration cycle tend to be volatile upon mixture proportion. Therefore,it is necessary to adjust soil fertility, crop species, and irrigation to meet crop demands on fertilizer and water.

Chiral thermally activated delayed fluorescence materials for circularly polarized organic light-emitting diodes

Chirality is an important natural characteristic of organic molecules,and chiral organic molecules have shown extensive application in areas such as pharmaceutical development and material science.Benefiting from the ability to achieve circularly polarized luminescence(CPL),chiral luminescent materials have shown potential applications in anti-glare display,optical communication and,3D display,etc.Due to the ability to harvest both singlet and triplet excitons by a fast reverse intersystem crossing process without involving noble metals,chiral thermally activated delayed fluorescence(TADF)materials with point chirality,axial chirality,planar chirality and helical chirality are regarded as the state-of-the-art materials for circularly polarized organic light-emitting diodes(CP-OLEDs).In recent years,the chiral TADF materials and CP-OLEDs have rapidly developed,but unfortunately,the dissymmetry factors(g)are far from the requirement of practical applications.The ideal emitters and devices should have both high efficiency and a g factor,or at least a balance between these two elements.This review gives an overview of recent progress in chiral TADF materials,with a particular focus on the chiral skeleton,CPL property and device performance.Furthermore,the molecular design concept,device structure and methods to improve the g factors of chiral materials and CP-OLEDs are also discussed.

A Review of Anode Materials for Dual‑Ion Batteries

Distinct from"rockingchair"lithium-ion batteries(LIBs),the unique anionic intercalation chemistry on the cathode side of dual-ion batteries(DIBs)endows them with intrinsic advantages of low cost,high voltage,and ecofriendly,which is attracting widespread attention,and is expected to achieve the next generation of large-scale energy storage applications.Although the electrochemical reactions on the anode side of DIBs are similar to that of LIBs,in fact,to match the rapid insertion kinetics of anions on the cathode side and consider the compatibility with electrolyte system which also serves as an active material,the anode materials play a very important role,and there is an urgent demand for rational structural design and performance optimization.A review and summarization of previous studies will facilitate the exploration and optimization of DIBs in the future.Here,we summarize the development process and working mechanism of DIBs and exhaustively categorize the latest research of DIBs anode materials and their applications in different battery systems.Moreover,the structural design,reaction mechanism and electrochemical performance of anode materials are briefly discussed.Finally,the fundamental challenges,potential strategies and perspectives are also put forward.It is hoped that this review could shed some light for researchers to explore more superior anode materials and advanced systems to further promote the development of DIBs.

Progress in the research on organic piezoelectric catalysts for dye decomposition

Organic contaminants have posed a direct and substantial risk to human wellness and the environment.In recent years,piezo-electric catalysis has evolved as a novel and effective method for decomposing these contaminants.Although piezoelectric materials offer a wide range of options,most related studies thus far have focused on inorganic materials and have paid little attention to organic materi-als.Organic materials have advantages,such as being lightweight,inexpensive,and easy to process,over inorganic materials.Therefore,this paper provides a comprehensive review of the progress made in the research on piezoelectric catalysis using organic materials,high-lighting their catalytic efficiency in addressing various pollutants.In addition,the applications of organic materials in piezoelectric cata-lysis for water decomposition to produce hydrogen,disinfect bacteria,treat tumors,and reduce carbon dioxide are presented.Finally,fu-ture developmental trends regarding the piezoelectric catalytic potential of organic materials are explored.

A review of anode materials for sodium ion batteries

Lithium-ion batteries(LIBs)are used in electric vehicles and portable smart devices,but lithium resources are dwindling and there is an increasing demand which has to be catered for.Sodium ion batteries(SIBs),which are less costly,are a promising replacement for LIBs because of the abundant natural reserves of sodium.The anode of a SIB is a necessary component of the battery but is less understood than the cathode.This review outlines the development of various types of anodes,including carbonbased,metallic and organic,which operate using different reaction mechanisms such as intercalation,alloying and conversion,and considers their challenges and prospects.Strategies for modifying their structures by doping and coating,and also modifying the solid electrolyte interface are discussed.In addition,this review also discusses the challenges encountered by the anode of SIBs and the solutions.

A review of ultra-high temperature heat-resistant energetic materials

Heat-resistant energetic materials refer to a type of energetic materials that possess a high melting point,high stability and operational safety. By studying the structures of these energetic materials has showed that the thermal stability can be enhanced by introducing amino groups to form intra/inter-molecular hydrogen bonds, constructing conjugate systems and designing symmetrical structures. This article aims to review the physical and chemical properties of ultra-high temperature heat-resistant energetic compounds and provide valuable theoretical insights for the preparation of ultra-high temperature heatresistant energetic materials. We also analyze the selected 20 heat-resistant energetic materials with decomposition temperatures higher than 350℃, serving as templates for the synthesis of various highperformance heat-resistant energetic materials.

Cation-Anion Redox Active Organic Complex for High Performance Aqueous Zinc Ion Battery

Organic redox compounds are attractive cathode materials in aqueous zinc-ion batteries owing to their low cost,environmental friendliness,multiple-electron-transfer reactions,and resource sustainability.However,the realized energy density is constrained by the limited capacity and low voltage.Herein,copper-tetracyanoquinodimethane(CuTCNQ),an organic charge-transfer complex is evaluated as a zinc-ion battery cathode owing to the good electron acceptation ability in the cyano groups that improves the voltage output.Through electrochemical activation,electrolyte optimization,and adoption of graphene-based separator,CuTCNQ-based aqueous zinc-ion batteries deliver much improved rate performance and cycling stability with anti-self-discharge properties.The structural evolution of CuTCNQ during discharge/charge are investigated by ex situ Fourier transform infra-red(FT-IR)spectra,ex situ X-ray photoelectron spectroscopy(XPS),and in situ ultraviolet visible spectroscopy(UV-vis),revealing reversible redox reactions in both cuprous cations(Cu^(+))and organic anions(TCNQ^(x-1)),thus delivering a high voltage output of 1.0 V and excellent discharge capacity of 158 mAh g^(-1).The remarkable electrochemical performance in Zn//CuTCNQ is ascribed to the strong inductive effect of cyano groups in CuTCNQ that elevated the voltage output and the graphene-modified separator that inhibited CuTCNQ dissolution and shuttle effect in aqueous electrolytes.

Modeling and Simulation of an Organic Photovoltaic Cell: ITO/MoO3/CARAPA/PCBM/Alq3/Al with SCAPS

Renewable energies are of major interest due to their inexhaustible and clean nature, with minimal impact on the environment. Numerous technological pathways exist in this field, each distinguished by the materials used and their implementation principles. However, the cost-efficiency ratio remains a significant challenge for researchers. Currently, organic materials are gaining popularity due to their relatively low cost. However, their performance, particularly in terms of conversion efficiency, still requires improvements. This study focuses on optimizing the organic photovoltaic cell ITO/MoO3/CARAPA/PCBM/Alq3/Al using SCAPS. Several parameters were considered, such as layer thickness, recombination center density, and doping, to improve the cell’s performance. The optimal parameters obtained include an efficiency of 3%, a fill factor of 81.67%, an open-circuit voltage of 1610 mV, and a short-circuit current of 2.28 mA/cm2. The study also revealed that doping the phenyl-C61-butyric acid methyl ester (PCBM) layer has a significant impact on efficiency and short-circuit current, improving these parameters up to a certain point before causing degradation due to increased recombination. Furthermore, high doping of the tri (8-hydroxyquinoline) aluminum (Alq3) layer improves performance up to a critical threshold, after which degradation is also observed. In contrast, doping the molybdenum trioxide (MoO3) layer does not have a notable impact on cell performance. Regarding the thickness of the active Carapaprocera (CARAPA) and PCBM layers, non-optimal values lead to a decrease in performance. Similarly, an optimal thickness of the Alq3 layer significantly improves efficiency. These results highlight the importance of parameter optimization to maximize the efficiency of organic solar cells.

Investigating the Potential of Quasi-One-Dimensional Organic Crystals of TTT(TCNQ)2 for Thermoelectric Applications

The purpose of this paper is to present the results of investigations on quasi-one-dimensional organic crystals of tetrathiotetracene-tetracyanoquinodi- methane (TTT(TCNQ)2) from the prospective of thermoelectric applications. The calculations were performed after analytical expressions, obtained in the frame of a physical model, more detailed than the model presented earlier by authors. The main Hamiltonian of the model includes the electronic and phonon part, electron-phonon interactions and the impurity scattering term. In order to estimate the electric charge transport between the molecular chains, the physical model was upgraded to the so-called three-dimen- sional (3D) physical model. Numeric computations were performed to determine the electrical conductivity, Seebeck coefficient, thermal conductivity, thermoelectric power factor and thermoelectric figure-of-merit as a function on charge carrier concentrations, temperatures and impurity concentrations. A detailed analysis of charge-lattice interaction, consisting of the exploration of the Peierls structural transition in TCNQ molecular chains of TTT(TCNQ)2 was performed. As result, the critical transition temperature was determined. The dispersion of renormalized phonons was examined in detail.

Decomposition characteristics of organic materials and their effects on labile and recalcitrant organic carbon fractions in a semi-arid soil under plastic mulch and drip irrigation

Labile organic carbon （LC） and recalcitrant organic carbon （RC） are two major fractions of soil organic carbon （SOC） and play a critical role in organic carbon turnover and sequestration. The aims of this study were to evaluate the variations of LC and RC in a semi-arid soil （Inner Mongolia, China） under plastic mulch and drip irrigation after the application of organic materials （OMs）, and to explore the effects of OMs from various sources on LC and RC by probing the decomposition characteristics of OMs using in-situ nylon mesh bags burying method. The field experiment included seven treatments, i.e., chicken manure （CM）, sheep manure （SM）, mushroom residue （MR）, maize straw （MS）, fodder grass （FG）, tree leaves （TL） and no OMs as a control （CK）. Soil LC and RC were separated by Huygens D＇s method （particle size-density）, and the average soil mass recovery rate and carbon recovery rate were above 95%, which indicated this method was suitable for carbon pools size analysis. The LC and RC contents significantly （P〈0.01） increased after the application of OMs. Moreover, LC and RC contents were 3.2%-8.6% and 5.0%-9.4% higher in 2016 than in 2015. The applications of CM and SM significantly increased （P〈0,01） LC content and LC/SOC ratio, whereas they were the lowest after the application of TL. However, SOC and RC contents were significantly higher （P〈0.01） after the applications of TL and MS. The correlation analysis indicated the decomposition rate of OMs was positively related with LC content and LC/SOC ratio. In addition, lignin, polyphenol, WOM （total water-soluble organic matter）, WHA （water-soluble humic acid）, HSL （humicdike substance） and HAL （humic acid-like） contents in initial OMs played important roles in SOC and RC. In-situ nylon mesh bags burying experiment indicated the decomposition rates of CM, SM and MS were significantly higher than those of MR, FG, and TL. Furthermore, MS could result in more lignin derivatives, WHA, and HAL polymers in shorter time during the decomposition process. In conclusion, the application of MS in the semi-arid soil under a long-term plastic mulch and drip irrigation condition could not only improve soil fertility, but also enhance soil carbon sequestration.

Selective extraction and separation of Fe,Mn oxides and organic materials in river surficial sediments

In order to investigate the adsorption mechanism of trace metals to surficial sediments （SSs）, a selective extraction procedure was improved in the present work. The selective extraction procedure has been proved to selectively remove and separate Fe, Mn oxides and organic materials （OMs） in the non-residual fraction from the SSs collected in Songhua River, China. After screening different kinds of conventional extractants of Fe and Mn oxides and OMs used for separation of heavy metals in the soils and sediments, NH2OH .HCl （0.1 mol/L） ＋ HNO3 （0.1 mol/L）, （NH4）2C2O4 （0.2 mol/L） ＋ H2C2O4 （pH 3.0）, and 30% of H2O2 were respectively applied to selectively extract Mn oxides, Fe/Mn oxides and OMs. After the extraction treatments, the target components were removed with extraction efficiencies between 86.09%--3.36% for the hydroxylamine hydrochloride treatment, 80.63%- 101.09% for the oxalate solution extraction, and 94.76%-102.83% for the hydrogen peroxide digestion, respectively. The results indicate that this selective extraction technology was effective for the extraction and separation ofFe, Mn oxides and OMs in the SSs, and important for further mechanism study of trace metal adsorption onto SSs.

Adsorption of Cu(Ⅱ) on humic acids derived from different organic materials

The adsorption of Cu（Ⅱ） from aqueous solution onto humic acid （HA） which was isolated from cattle manure （CHA）, peat （PHA）, and leaf litter （LHA） as a function of contact time, pH, ion strength, and initial concentration was studied using the batch method. X-ray absorption spectroscopy （XAS） was used to examine the coordination environment of the Cu（ll） adsorbed by HA at a molecular level. Moreover, the chemical compositions of the isolated HA were characterized by elemental analysis and solid-state 13C nuclear magnetic resonance spectroscopy （NMR）. The kinetic data showed that the adsorption equilibrium can be achieved within 8 h. The adsorption kinetics followed the pseudo-second-order equation. The adsorption isotherms could be well fitted by the Langmuir model, and the maximum adsorption capacities of Cu（ll） on CHA, PHA, and LHA were 229.4,210.4, and 197.7 mg g-1, respectively. The adsorption of Cu（Ⅱ） on HA increased with the increase in pH from 2 to 7, and maintained a high level at pH〉7. The adsorption of Cu（Ⅱ） was also strongly influenced by the low ionic strength of 0.01 to 0.2 mol L-1 NaNO3, but was weakly influenced by high ionic strength of 0.4 to 1 mol L-1 NaNO3. The Cu（Ⅱ） adsorption on HA may be mainly attributed to ion exchange and surface complexation. XAS results revealed that the binding site and oxidation state of Cu adsorbed on HA surface did not change at the initial Cu（Ⅱ） concentrations of 15 to 40 mg L 1. For all the Cu（Ⅱ） adsorption samples, each Cu atom was surrounded by 40/N atoms at a bond distance of 1.95 A in the first coordination shell. The presence of the higher Cu coordination shells proved that Cu（Ⅱ） was adsorbed via an inner-sphere covalent bond onto the HA surface. Among the three HA samples, the adsorption capacity and affinity of CHA for Cu（Ⅱ） was the greatest, followed by that of PHA and LHA. All the three HA samples exhibited similar types of elemental and functional groups, but different contents of elemental and functional groups. CHA contained larger proportions of methoxyl C, phenolic C and carbonyl C, and smaller proportions of alkyl C and carbohydrate C than PHA and LHA. The structural differences of the three HA samples are responsible for their distinct adsorption capacity and affinity toward Cu（Ⅱ）. These results are important to achieve better understanding of the behavior of Cu（Ⅱ） in soil and water bodies in the presence of organic materials.