Chlorine-Substituent Regulation in Dopant-Free Small-Molecule Hole-Transport Materials Improves the Effi ciency and Stability of Inverted Perovskite Solar Cells

Although doped hole-transport materials(HTMs)off er an effi ciency benefi t for perovskite solar cells(PSCs),they inevi-tably diminish the stability.Here,we describe the use of various chlorinated small molecules,specifi cally fl uorenone-triphenylamine(FO-TPA)-x-Cl[x=para,meta,and ortho(p,m,and o)],with diff erent chlorine-substituent positions,as dopant-free HTMs for PSCs.These chlorinated molecules feature a symmetrical donor-acceptor-donor structure and ideal intramolecular charge transfer properties,allowing for self-doping and the establishment of built-in potentials for improving charge extraction.Highly effi cient hole-transfer interfaces are constructed between perovskites and these HTMs by strategi-cally modifying the chlorine substitution.Thus,the chlorinated HTM-derived inverted PSCs exhibited superior effi ciencies and air stabilities.Importantly,the dopant-free HTM FO-TPA-o-Cl not only attains a power conversion effi ciency of 20.82% but also demonstrates exceptional stability,retaining 93.8%of its initial effi ciency even after a 30-day aging test conducted under ambient air conditions in PSCs without encapsulation.These fi ndings underscore the critical role of chlorine-substituent regulation in HTMs in ensuring the formation and maintenance of effi cient and stable PSCs.

Knowledge-reused transfer learning for molecular and materials science

Leveraging big data analytics and advanced algorithms to accelerate and optimize the process of molecular and materials design, synthesis, and application has revolutionized the field of molecular and materials science, allowing researchers to gain a deeper understanding of material properties and behaviors,leading to the development of new materials that are more efficient and reliable. However, the difficulty in constructing large-scale datasets of new molecules/materials due to the high cost of data acquisition and annotation limits the development of conventional machine learning(ML) approaches. Knowledgereused transfer learning(TL) methods are expected to break this dilemma. The application of TL lowers the data requirements for model training, which makes TL stand out in researches addressing data quality issues. In this review, we summarize recent progress in TL related to molecular and materials. We focus on the application of TL methods for the discovery of advanced molecules/materials, particularly, the construction of TL frameworks for different systems, and how TL can enhance the performance of models. In addition, the challenges of TL are also discussed.

FATIGUE DAMAGE CALCULATED BY RATIO-METHOD TO METALLIC MATERIALS WITH SMALL CRACK UNDER UNSYMMETRIC CYCLIC LOADING

Based on the standpoint to take for the crack size also to be a damage variable like the damage variable, by means of the two-directions coordinate system, several new calculation equations on the small crack growth rate are suggested for describing the elastic-plastic behavior of some metallic materials. And the estimation formulas of life are also suggested relative to varied small crack size at each loading history, which is unsymmetric cyclic loading. In the calculation method, as a loaded stress-strain parameter to adopt the ratio with plastic strain range to elastic strain range, and as the material constants using the typical material parameters in damage calculation expression, a new concept of the compositive material constant, which has functional relation with the typical material constants, average stress, average strain, critical loading time is given out. In addition, the fatigue damage of a part of car is put up to calculate as an example, its calculation results are accordant with the Landgraf＇s equation, and calculation precision is more rigorous, so could avoid unnecessary fatigue tests and will be of practical significance on saving times, manpower and capitals, as well as the convenience for engineering applications.

Accurate machine learning models based on small dataset of energetic materials through spatial matrix featurization methods

A large database is desired for machine learning(ML) technology to make accurate predictions of materials physicochemical properties based on their molecular structure.When a large database is not available,the development of proper featurization method based on physicochemical nature of target proprieties can improve the predictive power of ML models with a smaller database.In this work,we show that two new featurization methods,volume occupation spatial matrix and heat contribution spatial matrix,can improve the accuracy in predicting energetic materials' crystal density(ρ_(crystal)) and solid phase enthalpy of formation(H_(f,solid)) using a database containing 451 energetic molecules.Their mean absolute errors are reduced from 0.048 g/cm~3 and 24.67 kcal/mol to 0.035 g/cm~3 and 9.66 kcal/mol,respectively.By leave-one-out-cross-validation,the newly developed ML models can be used to determine the performance of most kinds of energetic materials except cubanes.Our ML models are applied to predict ρ_(crystal) and H_(f,solid) of CHON-based molecules of the 150 million sized PubChem database,and screened out 56 candidates with competitive detonation performance and reasonable chemical structures.With further improvement in future,spatial matrices have the potential of becoming multifunctional ML simulation tools that could provide even better predictions in wider fields of materials science.

High-performance asymmetric small molecular donor materials based on indenothiophene for solution-processed organic solar cells

Two novel asymmetric organic small molecules of IT(2FBT-T3Cz)_2and IT(2FBT-TT3Cz)_2with an indenothiophene(IT)central donor core,fluorinated benzothiadiazole(2FBT)as acceptor and 3-carbazole(Cz)unit as terminal group were designed and synthesized as the donor materials in organic solar cells(OSCs).The thermal,optical absorption,electrochemical property,hole–electron mobility,film morphology were thoroughly studied.Using PC_(71)BM as an electron acceptor,without any additive and thermal annealing(TA)treatment,the IT(2FBT-T3Cz)_2-based cells showed a promising power conversion efficiency(PCE)of5.81%and the IT(2FBT-TT3Cz)_2-based cells exhibited a PCE of 4.39%.Our results demonstrate that the IT-based asymmetric small molecules can be developed as a promising class of donor materials for highperformance OSCs.

A two-scale method for identifying mechanical parameters of composite materials with periodic configuration

In this paper, a two-scale method （TSM） is presented for identifying the mechanics parameters such as stiffness and strength of composite materials with small periodic configuration. Firstly, a formulation is briefly given for two-scale analysis （TSA） of the composite materials. And then a two-scale computation formulation of strains and stresses is developed by displacement solution with orthotropic material coefficients for three kinds of such composites structures, i.e., the tension column with a square cross section, the bending cantilever with a rectangular cross section and the torsion column with a circle cross section. The strength formulas for the three kinds of structures are derived and the TSM procedure is discussed. Finally the numerical results of stiffness and strength are presented and compared with experimental data. It shows that the TSM method in this paper is feasible and valid for predicting both the stiffness and the strength of the composite materials with periodic configuration.

High Efficiency Axial Deep Creep-Feed Grinding Machining Technology of Engineering Ceramics Materials

Axial deep creep-feed grinding machining technology is a high efficiency process method of engineering ceramics materials, which is an original method to process the cylindrical ceramics materials or hole along its axis. The analysis of axial force and edge fracture proved the cutting thickness and feed rate could be more than 5-10 mm and 200 mm/min respectively in once process, and realized high efficiency, low-cost process of engineering ceramics materials. Compared with high speed-deep grinding machining, this method is also a high efficiency machining technology of engineering ceramics materials as well as with low cost. In addition, removal mechanism analyses showed that both median/radial cracks and lateral cracks appeared in the part to be removed, and the processed part is seldom destroyed, only by adjusting the axial force to control the length of transverse cracks.

Truxene-based Hole-transporting Materials for Perovskite Solar Cells

Three star-shaped truxene-based small molecules（namely TXH,TXM,TXO） were synthesized,characterized and used as hole-transporting materials（HTMs） for perovskite solar cells（Pv SCs）. The device based on TXO delivered a respectable power conversion efficiency（PCE） of 7.89% and a high open-circuit voltage（Voc） of 0.97 V,which far exceeded the values of the devices based on other two small molecules. The highest PCE for the device based on TXO is mainly contributed from its lowest series resistance（Rs） value and largest short-circuit current（Jsc） value under the same circumstances. All these results indicate that TXO is a promising HTM candidate for Pv SCs.

Body armour-New materials, new systems

This is a very timely review of body armour materials and systems since new test standards are currently being written, or reviewed, and new, innovative products released. Of greatest importance, however, is the recent evolution, and maturity, of the Ultra High Molecular Weight Polyethylene fibres enabling a completely new style of system to evolve e a stackable system of Hard Armour Plates. The science of body armour materials is quickly reviewed with emphasis upon current understanding of relevant energy-absorbing mechanisms in fibres, fabrics, polymeric laminates and ceramics. The trend in ongoing developments in ballistic fibres is then reviewed, analysed and future projections offered. Weaknesses in some of the ceramic grades are highlighted as is the value of using cladding materials to improve the robustness, and multi-strike performance, of Hard Armour Plates. Finally, with the drive for lighter, and therefore smaller, soft armour systems for military personnel the challenges for armour designers are reported, and the importance of the relative size of the Hard Armour Plate to the Soft Armour Insert is strongly emphasised.

One-Pot Synthesis of Tetraarylpyrrolo[3,2-b]pyrrole Dopant-Free Hole-Transport Materials for Inverted Perovskite Solar Cells

Four organic smallmolecule hole transport materials(D41, D42,D43 and D44) of tetraarylpyrrolo[3,2-b]pyrroles were prepared. They can be used without doping in the manufacture of the inverted planar perovskite solar cells. Tetraarylpyrrolo[3,2-b]pyrroles are accessible for one-pot synthesis.D42, D43 and D44 possess acceptor-π-donor-π-acceptor structure, on which the aryl bearing substitutes of cyan, fluorine and trifluoromethyl, respectively. Instead, the aryl moiety of D41 is in presence of methyl with a donor-π-donor-π-donor structure. The different substitutes significantly affected their molecular surface charge distribution and thin-film morphology, attributing to the electron-rich properties of fused pyrrole ring. The size of perovskite crystalline growth particles is affected by different molecular structures,and the electron-withdrawing cyan group of D42 is most conducive to the formation of large perovskite grains. The D42 fabricated devices with power conversion efficiency of17.3% and retained 55% of the initial photoelectric conversion efficiency after 22 days in dark condition. The pyrrolo[3,2-b]pyrrole is efficient electron-donating moiety for hole transporting materials to form good substrate in producing perovskite thin film.

Characterization of the Constructions Materials Used in the Hydroelectric Power Plants in the Sedano＇s Valley, Burgos （Spain）

Small hydropower plants for electricity generation were first built in Spain in the early 1880s. The Spanish peninsula is characterized by its rugged landscape, fast flowing rivers and steep gradients. A clear example of this is the remarkable area of the upper Ebro river basin where powerful water flows are found that are ideal for electricity generation. Between 1900 and 1930, the river Ebro was a major source of energy for industrial areas such as Alava, Vizcaya, Vitoria, Miranda de Ebro, Burgos and La Rioja. Between 1951-1965, the use of these small hydropower plants declined due to the construction of alternatives by industrialists in the Basque Country, which in most cases led to their deterioration. They were rescued in the late twentieth century, thanks to private sector initiatives which funded their rehabilitation. This study examines two small-scale hydraulic power plants in the province of Burgos at Medina de Pomar and at Quintanilla Escalada; both buildings were used for generating electricity and had living quarters for the workers and now represent historic architectonic and industrial heritage. The study documents their architectonic features and the restoration processes that have permitted one of them to remain in operation up until the present day.

Design,synthesis and properties of novel organic small molecule photovoltaic materials based on diketopyrrolopyrrole-fluorene

Two novel organic small molecule donor materials(FLU),TDPP and(DFLU)_(2)TDPP based on diketopyrrolopyrrole-fluorene were designed and synthesized successfully.The D-D-π-A-π-D-D type molecule(DFLU)_(2)TDPP was constructed based on the D-π-A-π-D type molecule(FLU)_(2)TDPP by a backbone extension strategy.The optical absorption,electrochemistry and photovoltaic properties of the two novel materials were investigated in detail.Both(FLU)_(2)TDPP and(DFLU)_(2)TDPP show narrow energy gaps of1.71 and 1.64 eV,respectively.Compared to(FLU)_(2)TDPP,the photovoltaic device based on(DFLU)_(2)TDPP/PC_(71)BM exhibited a higher power conversion efficiency of 2.27%due to its excellent optical absorption,narrow band gap and balanced carrier mobility.This study indicates that skeleton extension strategy is an effective strategy to broaden the molecular absorption range and improve device performance.

THE ANTI-PLANE SHEAR FIELD IN AN INFINITE SLAB OF ELASTO-DAMAGED MATERIAL WITH A SEMI-INFINITE CRACK

This paper deals with an infinite slab with a semi-infinite crack,which is subjected to the anti-plane shear k_Ⅲ field at infinity.The slab is made of an elasto-damaged material.Analytical solution is obtained by use of conformal mapping.The shape of damaged-zone,the dissipative energy,the shear open- ing displacement on the crack surface and several stress distribution curves are given.The far field condition is checked,The asymptotic behavior near the crack-tip is given.

Pyridine-triphenylamine hole transport material for inverted perovskite solar cells

In the light of superior interaction between pyridine unit and perovskite,a facile star-shaped triphenylamine-based hole transport material(HTM)incorporating pyridine core(coded as H-Pyr)is designed and synthesized.A reference HTM with benzene core,coded as H-Ben,is also prepared for a comparative study.The effects of varying core on HTMs are investigated by comparing the photophysical,electrochemical and hole mobility properties.It is found that pyridine core exhibits better conjunction and decreased dihedral angles with triphenylamine side arms than that of benzene,leading to obviously better hole mobility and well-matched work function.The perovskite film prepared on H-Pyr also shows improved crystallization than on H-Ben.Photoluminescence and electrochemical impedance studies indicate improved charge extraction and reduced recombination in the H-Pyr-based perovskite solar cells.Consequently,H-Pyr-based device exhibits higher efficiency than H-Ben-based one.After doping with a Lewis acid,tris(pentafluorophenyl)borane,H-Pyr-based device delivers a champion efficiency of 17.09%,which is much higher compared with 12.14% of the device employing conventional poly(3,4-ethy lenedioxythiophene)polystyrene sulfonate(PEDOT:PSS)as HTM.Moreover,the H-Pyr-based device displays good long-term stability that the power conversion efficiency remains over 80% of the initial value after storage in ambient(relative humidity=50±5%)for 20 days.

Progress in small-molecule luminescent materials for organic light-emitting diodes

Organic light-emitting diodes （OLEDs） have been extensively studied since the first efficient device based on small molecular luminescent materials was reported by Tang. Organic electroluminescent material, one of the centerpieces of OLEDs, has been the focus of studies by many material scientists. To obtain high luminosity and to keep material costs low, a few remarkable design concepts have been developed. Aggregation-induced emission （AIE） materials were invented to overcome the common fluorescence-quenching problem, and cross-dipole stacking of fluorescent molecules was shown to be an effective method to get high solid-state luminescence. To exceed the limit of internal quantum efficiency of conventional fluorescent materials, phosphorescent materials were successfully applied in highly efficient electroluminescent devices. Most recently, delayed flu- orescent materials via reverse-intersystem crossing （RISC） from triplet to singlet and the ＂hot exciton＂ materials based on hy- bridized local and charge-transfer （HLCT） states were developed to he a new generation of low-cost luminescent materials as efficient as phosphorescent materials. In terms of the device-fabrication process, solution-processible small molecular lumi- nescent materials possess the advantages of high purity （vs. polymers） and low procession cost （vs. vacuum deposition）, which are garnering them increasing attention. Herein, we review the progress of the development of small-molecule luminescent materials with different design concepts and features, and also briefly examine future development tendencies of luminescent materials.

New advances in small molecule hole-transporting materials for perovskite solar cells

Organic π-functional molecules are the foundation and basic component of organic optoelectronic devices.For example,for ideal carrier transporting materials,extended π-conjugation and ordered π-πstacking are necessary to enhance the charge mobility and achieve desirable results.As a promising way to convert sunlight into electricity,organometal halide perovskite solar cells（PSCs） have captured a lot of attention due to its predominant merits especially in the aspect of remarkable photovoltaic performance and much potentially low production cost.For conventional planar PSC structure,hole-transporting layer which typically consists of organic π-functional materials plays a key role in suppressing holeelectron pair recombination,promoting charge transporting and ensuring ohmic contact of back electrode.Considering the key roles of HTMs and its soaring progress in recent years,here,we will summarize recent progress in small organic π-functional materials from its diverse functions in PSCs.Besides,aiming to further promote the development of organic π-functional molecules and HTMs,a promising direction toward highly efficient HTMs will also be discussed.

Supramolecular adhesive materials from small‐molecule self‐assembly

Developing high‐performance adhesive materials not only aims at industrial and social requirements but also bears the fundamental importance of understanding the chemical factors of biological adhesion to develop biomimetic adhesive materials.Owing to the wide development of supramolecular chemistry,numerous supramolecular tools are exploited and proved to be reliable in the replacement of traditional covalent materials by reversible noncovalent or dynamic covalent materials.Taking advantage of these readyto‐use supramolecular toolboxes,supramolecular adhesive materials are rising and promising toward“smart”adhesives,that is,enabling responsiveness,reversibility,and recyclability.Compared with polymeric adhesive materials,low‐molecular‐weight adhesives feature chemically precise structure,easier engineering by molecular design,and hence higher reproducibility.However,it remains highly challenging to make high‐performance adhesive materials by low‐molecular‐weight feedstocks.This review will focus on the recent advancement in the construction of supramolecular adhesive materials by smallmolecule self‐assembly.The design guidelines and consideration on the molecular scale will be discussed and summarized on how to enhance the strength of adhesives.Meanwhile,owing to the dynamic nature of supramolecular self‐assembly,several“smart”functions of such materials will be presented,such as stimuli–responsiveness and adaptiveness.Finally,current challenges and future perspectives of this emerging field will be proposed.

D-A structural protean small molecule donor materials for solution-processed organic solar cells

Under the synergistic effect of molecular design and devices engineering, small molecular organic solar cells have presented an unstoppable tendency for rapid development with putting forward donor- acceptor （D-A） structures. Up to now, the highest power conversion efficiency of small molecules has exceeded 11%, comparable to that of polymers. In this review, we summarize the high performance small molecule donors in various classes of typical donor-acceptor （D-A） structures and discuss their relationships briefly.

Determination of the Uniaxial Stress-Strain Relations of Ductile Materials by Small Disk Specimens

In this work,the small lateral-compression testing based on energy equivalent(SLTEE)method is put forward to determine the stress-strain curves of materials utilizing small disk specimens.Numerical simulations of small lateral-compression testing with imaginary materials are conducted to examine the validity of the SLT-EE method.The results demonstrate that the stress-strain curves determined by the SLT-EE method coincide with the curves input by finite element analysis.In order to predict the stress-strain curves of materials with different dimensions,a modified SLT-EE method is successfully proposed by introducing a correction factor/.Finally,the small disk compression experiments of Q345B,304,7075 and 6061 are performed.The stress-strain curves of the four materials predicted by the SLT-EE method show agreement with the tension results.Furthermore,the mechanical properties of in-service hollow components are also determined utilizing the same method successfully.

Study on the Application of Small Woodblock Turf in Garden Landscape

The development status of small woodblock turf in China and abroad was introduced in this study, the significance and advantage of such a technology as well as its application in garden landscape were also summarized, and finally advices to further develop small woodblock turf were put forward.