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Secondary aluminum ash (SAD) disposal is challenging, particularly in developing countries, and presents severe eco-environmental risks. This paper presents the treatment techniques, mechanisms, and effects of SAD at the current technical-economic level based on aluminum ash's resource utilization and environmental properties. Five recovery techniques were summarized based on aluminum's recoverability in SAD. Four traditional utilization methods were outlined as per the utilization of alumina in SAD. Three new utilization methods of SAD were summarized based on the removability (or convertibility) of aluminum nitride in SAD. The R-U-R (recoverability, utilizability, and removability) theory of SAD was formed based on several studies that helped identify the fingerprint of SAD. Furthermore, the utilization strategies of SAD, which supported the recycling of aluminum ash, were proposed. To form a perfect fingerprint database and develop various relevant techniques, future research must focus on an extensive examination of the characteristics of aluminum ash. This research will be advantageous for addressing the resource and environmental challenges of aluminum ash. [Display omitted] • Generation and properties of SAD were fully identified. • Ceramsite or ceramics were SAD's high-value products. • New recycling methods of SAD were discussed. • R-U-R theory and SAD treatment strategy were proposed. [ABSTRACT FROM AUTHOR]

The migration mechanisms, sources, and environmental risks of 29 legacy and emerging perfluorinated and polyfluoroalkyl species present in an oxidation pond (Ya'Er Lake) were investigated for treating sewage based on the analysis of their occurrence and distribution. The concentration of per- and polyfluoroalkyl substances (PFAS) in pond area was between 0.30 and 63.2 ng/g dw (dry weight), with the overall average concentration of 8.00 ng/g dw. Notably, the PFAS concentrations in the surface sediments near the sewage outlet in Pond-1 (50.2 ng/g dw) and Pond-5 (average 15.1 ng/g dw) were 1–2 orders of magnitude higher than those in other areas. In general, the legacy PFAS, i.e., perfluorooctane sulfonic acid was considered to be the major pollutant in the polluted area, on average, accounting for 73.0% of the total concentration of PFAS pollutants. By evaluating the regional distribution of different PFAS homologs, the short-chain PFAS pollutants with lower K ow were found to migrate farther in both horizontal and vertical directions. The sewage outlets in Pond-1 and Pond-5 are the main pollution sources in polluted area and the emerging PFAS pollutants in Pond-5 have replaced the legacy PFAS pollutants as the main pollutants. Based on positive matrix factorization analysis, three main industrial sources of PFAS pollutants in the study area were identified: protective coating, fire-fighting, and food packaging sources. Moreover, the environmental risk assessment results showed that most study areas exhibited medium environmental risk (0.01 ≤ Risk quotient (RQ) < 1), indicating that the ecological environment risks in this area need further attention. [Display omitted] [ABSTRACT FROM AUTHOR]

Experiments and peridynamic simulations of the split-Hopkinson pressure bar (SHPB) have been conducted to investigate the dynamic mechanical behaviors of magnesium aluminate (Mg-Al) spinel. The high-speed camera and scanning electron microscopy were used to observe the failure process and the fracture surface. In our modified model, the crystal orientation and grain boundary strength were explicitly quantified, accompanied by the dual-horizon peridynamic technique, resulting in high calculation accuracy and efficiency. Then effects of the stress state and strain rate on the failure mechanism of spinel have been investigated with the damage evolution process. Micro-pores tend to be generated at the intersection of grain boundaries, while cracks will propagate along these micro-pores, leading to trans-granular and inter-granular failures. Finally, the microstructure effects on the mechanical properties of spinel have been systemically investigated. The strength and distribution of grain boundaries were found to significantly affect the strength and crack propagation of Mg-Al spinel. [ABSTRACT FROM AUTHOR]

ZnIn 2 S 4 /ZnO heterostructures have been synthesized by a simple one-step hydrothermal synthesis method, which lead to ZnO grow on the surface of ZnIn 2 S 4 nanosheets, forming a strong electronic interaction between the two semiconductors. Under the full spectrum irradiation, the optimal photocatalyst 2ZnIn 2 S 4 /ZnO shows the H 2 evolution rate of 13,638 (water/ethanol = 1:1) and 3036 (water) μmol•g−1h−1, which is correspondingly 4 and 5 times higher than that of pure ZnIn 2 S 4. ISI-XPS analysis and DFT calculations show that electrons are transferred from ZnIn 2 S 4 to ZnO through hybridization and an internal electric field (IEF) is formed between ZnIn 2 S 4 and ZnO. The improvement of photocatalytic performance can be attributed to the effect of internal electric field, the increase of photo-generated electron and hole transport rate, the suppression of charge carrier recombination, and the enhancement of light collection. The photoelectrochemical and EPR results show that a stepped (S-scheme) heterojunction is formed in the ZnIn 2 S 4 /ZnO redox center, which greatly promotes separation of electron-hole pairs to promote efficient hydrogen evolution. This work provides a new strategy for the design of S-scheme photocatalytic systems for hydrogen evolution. [Display omitted] ZnIn 2 S 4 /ZnO heterostructures have been achieved by a simple in-situ growth solvothermal method. Under full spectrum irradiation, the optimal photocatalyst 2ZnIn 2 S 4 /ZnO exhibits H 2 evolution rate of 13,638 (water/ethanol = 1:1) and 3036 (water) μmol·g−1h−1, which is respectively 4 and 5 times higher than that of pure ZnIn 2 S 4. In situ illumination X-ray photoelectron spectroscopy (ISI-XPS) analysis and density functional theory (DFT) calculations show that the electrons of ZnIn 2 S 4 are removed to ZnO through hybridization and form an internal electric field between ZnIn 2 S 4 and ZnO. The optical properties of the catalyst and the effect of internal electric field (IEF) can increase photo-generated electrons (e−)–holes (h+) transport rate and enhance light collection, resulting in profitable photocatalytic properties. The photoelectrochemical and EPR results show that a stepped (S-scheme) heterojunction is formed in the ZnIn 2 S 4 /ZnO redox center, which greatly promotes separation of e−–h+ pairs and efficient H 2 evolution. This research offers an effective method for constructing an efficient S-Scheme photocatalytic system for H 2 evolution. [ABSTRACT FROM AUTHOR]

The development of orange‐red/red thermally activated delayed fluorescence (TADF) materials with both high emission efficiencies and short lifetimes is highly desirable for electroluminescence (EL) applications, but remains a formidable challenge owing to the strict molecular design principles. Herein, two new orange‐red/red TADF emitters, namely AC‐PCNCF3 and TAC‐PCNCF3, composed of pyridine‐3,5‐dicarbonitrile‐derived electron‐acceptor (PCNCF3) and acridine electron‐donors (AC/TAC) are developed. These emitters in doped films exhibit excellent photophysical properties, including high photoluminescence quantum yields of up to 0.91, tiny singlet‐triplet energy gaps of 0.01 eV, and ultrashort TADF lifetimes of less than 1 µs. The TADF‐organic light‐emitting diodes employing the AC‐PCNCF3 as emitter achieve orange‐red and red EL with high external quantum efficiencies of up to 25.0% and nearly 20% at doping concentrations of 5 and 40 wt%, respectively, both accompanied by well‐suppressed efficiency roll‐offs. This work provides an efficient molecular design strategy for developing high‐performance red TADF materials. [ABSTRACT FROM AUTHOR]

Thermally activated delayed fluorescence (TADF) materials based on multiple resonance (MR) molecular structures can achieve advantages, such as high fluorescence efficiency, reduced structural relaxation and narrow emission. It still remains a challenge to design highly efficient MR structure-based TADF materials with fast reverse intersystem crossing processes and easy emission-color tuning. Herein, we theoretically investigated the recently reported TADF molecule, which has the MR structure of quinolino[3,2,1-de] acridine-5,9-dione (QAD) as the acceptor and the moiety of carbazole (Cz) as the donor, namely QAD-Cz. The calculated fluorescence quantum efficiency of QAD-Cz is as high as 96.5%, which agrees with the experimental results (99.6%) very well. Moreover, we designed two new TADF materials based on the MR-QAD structure with different electron-donating moieties, namely QAD-TPA and QAD-DPTZ. The two newly designed molecules can theoretically achieve high fluorescence quantum efficiencies (over 90%) and fast reverse intersystem crossing rates (e.g. as high as 107 s−1 for QAD-DPTZ). The calculated emission wavelength of the QAD-DPTZ molecule is 638 nm, which obviously widens the emission color range of the reported MR-QAD-based TADF materials. Furthermore, we have analyzed the aggregation effects of the QAD-DPTZ molecule and demonstrated that this novel compound can likewise exhibit excellent luminescence performance in amorphous states. [ABSTRACT FROM AUTHOR]

Fire poses a major risk to ecosystems, human life, and property. Due to the complexity of fire scenarios and the challenge of detecting small, dispersed targets, this paper proposes FireSmoke-YOLO, an innovative fire detection algorithm based on the You Only Look Once (YOLO) framework. Firstly, the Funnel Space Pyramid Pooling Fast (FSPPF) is proposed to replace the Spatial Pyramid Pooling Fast (SPPF) in the backbone module, enhancing the feature extraction of deep networks. Secondly, to improve the detection accuracy of small objects, a Small Object Detection Layer is integrated into the Neck module. Additionally, to better fuse deep and shallow features, a Dynamic Snake Convolution (DSC) is added after each concatenation layer in the Neck module. FireSmoke-YOLO was trained and evaluated with a custom fire dataset. Experimental results show FireSmoke-YOLO achieves 81.4% a mean average precision at an intersection over union threshold of 0.5 (mAP50) and 59% mAP50-95 , surpassing the original model by 1.9% and 8.9%, respectively. The FSPPF layer reduces model size by 4.4 megabytes, ensuring a lightweight design. The model shows strong generalization in processing satellite remote sensing data, validating its effectiveness in fire monitoring. This study enhances fire detection accuracy while providing an efficient, lightweight model for firefighting and environmental protection. FireSmoke-YOLO presents a new approach to fire monitoring technology, with broad application potential. Future work will focus on further optimization and expanding its use in diverse fire monitoring scenarios to improve public safety and ecological protection. [ABSTRACT FROM AUTHOR]

In the EAST radiative divertor experiments, stable detachment and divertor protection have been achieved with mixed impurity gas seeding. Experiments indicate that neon (Ne) is an appropriate external impurity for plasma detachment in EAST. In this work, the physical mechanism of plasma detachment with Ne seeding in EAST is studied by using the SOLPS-ITER code package. The electron temperature Tet on the upper outer divertor target decreases to below 10 eV with Ne seeding, which is mainly due to the power loss and upstream power drop caused by the impurity radiation. For Tet < 10 eV, the significant drop of the poloidal saturation ion current js,p occurs around the upper outer strike point. The simulation results show that the js,p drop is mainly driven by the rise of the momentum loss and the upstream pressure loss. The increase in the momentum loss is mainly caused by the plasma–neutral interactions in the region from the X-point to the upper outer divertor target. The upstream pressure loss around the X-point is related to the decrease in the upstream electron temperature Teu, which originates from the increased radiation loss with Ne seeding. [ABSTRACT FROM AUTHOR]

In this paper, an end-to-end driving decision-making model is proposed for intelligent vehicle, utilizing a Variational AutoEncoder (VAE) network and Deep Reinforcement Learning to address the challenges in complex and dynamical driving environments. Firstly, the traffic environment image features are extracted by VAE network, which can effectively reduce the amount of data input and improve the learning efficiency. Secondly, the Soft Actor-Critic (SAC) algorithm is improved through the application of TD error value constraints, N-step learning, etc. Then driving risk field and rule constraints are introduced into the improve SAC algorithm. Based on the real-time driving risk field, the skipping frame method can enhance learning efficiency, and the rule constraints can reduce the dangerous actions in the output of the algorithm. In order to verify the effectiveness of the model, in the CARLA simulation platform the models of scenario and algorithm are established, and the simulations are carried out. The results show that using decision-making model built by the proposed algorithm, the average driving distance by the intelligent vehicle has been improved by 91.37%, the average reward value of the task has been increased by 132.04%, the average success rate of the task has been improved by 46.56%, the training time is also significantly reduced. It demonstrated that the proposed decision-making model provides a significant improvement in driving safety and learning efficiency. [ABSTRACT FROM AUTHOR]

[Display omitted] • ZnMn 2 O 4 with double/triple/quadruple core–shell microspheres were prepared. • The number of core–shell layers was controlled by adjusting the reaction condition. • Specific capacitance retention of 83.6% in ZMO-1.0–500-5 achieved after 8000 cycles. • ZMO-1.0–500-5//AC device showed an energy density of 54.10 Wh·kg−1 at 794.96 W·kg−1. Hollow core–shell structures have important applications in enhancing the electrochemical performance of supercapacitors. However, the preparation of a multi-layer core–shell structure is very complicated. Herein, ZnMn 2 O 4 hollow microspheres with double/three/four-layer core–shell structures were synthesized under different conditions via a one-step hydrothermal process followed by a heat treatment. Effects of the molar ratios of reactants, calcination temperatures, and heating rates on the morphology and properties of the as-prepared ZnMn 2 O 4 were studied. Results showed that quadra-shell structured ZnMn 2 O 4 heating at 5 oC·min−1 (ZMO-1.0–500-5) demonstrated the best specific capacitance of 442.91F·g−1 at a current density of 1 A·g−1. After 8000 cycles, the specific capacitance retention of ZMO-1.0–500-5 was 83.6 %. Furthermore, when assembled with activated carbon in a hybrid capacitor device, ZMO-1.0–500-5 exhibited a maximum energy density of 54.10 Wh·kg−1 at a power density of 764.96 W·kg−1. Even after 8000 cycles, the device kept 81.6 % retention of its initial capacitance. The unique multi-layer core–shell structure and multiple porosities of ZMO-1.0–500-5 offer a large specific surface area and specialized pathways for ion/electron diffusion and electrolyte penetration. Meanwhile, the hollow structure functions as a distinct "ion reservoir", enhancing ion utilization efficiency. The hollow microspheres of ZMO-1.0–500-5 might be a promising potential as electrode materials for supercapacitors. [ABSTRACT FROM AUTHOR]

• The microstructural evolution of shear band is found to follow the four-stage law. • The increase of strain rate delays the initiation and retards the propagation of DSB. • The clusters in the regions of strain localization are not dominated by the DSB. The shear bands (SBs) evolution of Cu 50 Zr 50 metallic glasses (MGs) by the uniaxial loading under different strain rates are investigated on the temporal and spatial scales using the molecular dynamics (MD) simulation. The stress-strain curve shows a corresponding relation to the microstructure parameter curve in the form of four-stage, together with a synchronized evolution of multiple shear bands. During the propagation of the dominate shear band (DSB), the rearrangement of global microstructure is induced by the different transformation of three categories of clusters located in different zones. The synchronized evolutions of the microstructure, the deformation and the mechanical property are found to be less affected by loading condition or strain rate. However, with the increase of strain rate, the initiation and propagation of the DSB are observably retarded. As a consequence, the fracture mode of the MGs presents a change from a sliding along the DSB to a uniform deformation. [ABSTRACT FROM AUTHOR]

Shear band behaviour plays a critical role in toughening and failure of bulk metallic glasses (BMGs). However, due to instability in time and inhomogeneity in space, spatial–temporal evolutions of shear bands are difficult to be studied in the past decades. Using digital image correlation (DIC) and infrared thermal imaging (ITI) technologies, uniaxial quasi-static compressions for Zr 41.2 Ti 13.8 Ni 10 Cu 12.5 Be 22.5 BMG are carried out. The spatial–temporal evolutions of shear bands, as well as the relationship between shear band and failure in BMGs, are in-situ investigated. A theoretical evaluation of temperature is performed based on the heat conduction theory, in line with the experimental data. Moreover, a free volume theory-based amorphous viscoplasticity model is implemented by finite element method (FEM) to understand the shear band behaviour further. The nucleation, propagation, intersection of shear bands are investigated in detail, and the simulation results are in agreement with the experiments in some respects. Besides, it is found that the primary shear band tends to be activated more easily along a so-called dominant path generated after shear-band competitions. This paper provides insights for the prediction of the primary shear band, prevention of failure, and toughening method in BMGs. [ABSTRACT FROM AUTHOR]

A polyethylenimine (PEI)-scaffolded and functionalized graphene aerogel, PEI-GO-AG, was prepared and utilized as a highly selective adsorbent for the extraction of thorium (Th) (IV) from three lanthanides (Ln) (III) elements. The three dimensional (3D)-porous structure of the adsorbent was established by the cross-linking effect of PEI via a one-step hydrothermal strategy and preserved by a freeze-drying treatment to avoid the collapse of the structure. The extractive efficiency of PEI-GO-AG displayed a sensitive dependence on the beginning mass ratio of PEI/graphene oxide (GO) in the hydrothermal step because of its significant influence on the hydrophilicity and the amounts of introduced binding sites of the adsorbent.. Besides, a density function theory (DFT)-based theoretical calculation was performed, confirming the higher stability of Th (IV)-PEI-GO-AG than that of Ln (III)-PEI-GO-AG. Ascribed to these contributions, the as-prepared adsorbent showed high selectivity towards Th (IV) among three Ln (III) elements. The separation factor (SF) values of Th (IV) to lanthanum (La) (III), europium (Eu) (III), and lutetium (Lu) (III) were SF Th/La = 114.41, SF Th/Eu = 52.75, and SF Th/Lu = 107.81, respectively. Graphical abstract Unlabelled Image • 1Dimensional-porous graphene oxide aerogel was established using polyethylenimine as the cross-linking and functionalizing agent. • The adsorbent possesses high selectivity arising from the dimensional-porous structure, the introduced binding sites, and the high hydrophilicity. • The adsorptive performance of the adsorbent showed a sensitively dependent relationship on the beginning mass ratio of polyethylenimine/graphene oxide. • A density functional theory simulation was performed, proving the adsorption complex of thorium possessed the lowest energy. [ABSTRACT FROM AUTHOR]

• Perfluorooctane sulfonamide can transform to perfluocarboxylic acids under sunlight. • Clay mineral can promote the transformation of perfluorooctane sulfonamide. • Water-montmorillonite interface can generate superoxide anion and hydroxyl radical. In this study, a new phototransformation pathway for perfluorooctane sulfonamide (FOSA) and underlying degradation mechanisms are described. Phototransformation of FOSA in a natural clay mineral (montmorillonite) suspension was compared to that in an aqueous solution. Results showed that the presence of montmorillonite can significantly promote the transformation of FOSA to perfluocarboxylic acids (increasing rate). The phototransformation reaction was found to be initiated by the activation of adsorbed oxygen molecules on the surface of montmorillonite, which generate superoxide anion and hydroxyl radicals. Hydroxyl radicals can then attack FOSA adsorbed onto the surface of montmorillonite, promoting the transformation process. In this reaction, clay minerals played a dual role: providing hydroxyl radicals and concentrating FOSA on their surfaces. This helped to promote the contact and reaction between FOSA and hydroxyl radicals. This study provides the first evidence that heterogeneous oxidation of FOSA at the surface of natural clay minerals may act as an important source of perfluocarboxylic acids (PFCAs), especially short chain PFCAs (i.e. trifluoroacetic acid, TFA). [ABSTRACT FROM AUTHOR]

The substrates formed by the self-assembly method of metal nanoparticles are widely used in the molecular detection due to their high uniformity and good SERS properties. In this paper, we used the sliver nanorods as the building block for the first time to produce close-packed vertical arrays via evaporation-induced method. The results showed that the optimized substrates have good performance with excellent enhancement factor (4.47 × 105) and high reproducibility. By the time, we explore the relationship between the length of silver nanorods and the intensity of 4-mercaptobenzoic acid (4-MBA). The optimal SERS performance depended on longest silver nanorod length. In addition, the optimized vertical silver nanorod substrates exhibit 3 times than the optimized six-layer three-dimensional horizontal ones. Furthermore, the optimized substrate was able to directly detect malachite green (MG) down to 10−9 M. At the same time, the on-site detection of the thiram in the peel of apple is as low as 0.1 ng cm−2. The experimental results clearly show that our substrates have great potential for environmental monitoring, food safety and security application. [ABSTRACT FROM AUTHOR]

Low-dimensional organo-inorganic hybrid halide perovskites with broadband emission characteristics are crucial for achieving excellent color rendering indices in solid-state lighting devices. Tin-based perovskites are promising lead-free candidates for their narrow band gaps, high charge mobility, and low toxicity. However, the susceptibility of Sn2+ to oxidation results in poor stability and strict synthetic conditions, posing a challenge for commercial applications. Herein, two tin-based perovskites, [Br(CH 2) 2 NH 3 ] 4 SnBr 6 ((BEA) 4 SnBr 6) and [Br(CH 2) 3 NH 3 ] 4 SnBr 6 ((BPA) 4 SnBr 6), were synthesized using an economical and environmental-friendly micromechanical chemical method under air conditions. Both perovskites exhibit a stable broadband orange-red light emission. Despite similar emission wavelengths (∼610 nm) and full width at half maximum (FWHM) (∼110 nm), they show a huge difference in lifetimes and photoluminescence quantum yields (PLQYs). (BPA) 4 SnBr 6 has a much longer lifetime (3.12 μs) and higher PLQY (79 %) than that of (BEA) 4 SnBr 6 due to its triplet self-trapped excitons (STEs) luminescence mechanism. Both compounds demonstrated good air stability; their photoluminescence intensity can be recovered to more than one times the initial value after 18 days in the air. Moreover, a stable warm white LED device with a color rendering index of 95.1 % was fabricated by coating blue phosphor BaMgAl 10 O 17 : Eu2+, green (Sr,Ba) 2 SiO 4 : Eu2+, and orange-red (BPA) 4 SnBr 6 on a commercial 365 nm LED chip. This study provides a novel approach for rapidly synthesizing high-performance tin-based perovskites and fabricating white LED devices with superior color rendering indices. • Two tin-based perovskites of (BEA) 4 SnBr 6 and (BPA) 4 SnBr 6 were prepared by a simple micromechanical chemical method. • The two tin-based perovskites showed excellent stability after 18 days in the air environment. • A broadband emission with a FWHM of ∼112–115 nm and a large Stokes shift of ∼264–270 nm was obtained. • The PLQY of (BPA) 4 SnBr 6 is up to 79 %. • The white LED prepared by (BPA) 4 SnBr 6 achieves a color rendering index of 95.1 %. [ABSTRACT FROM AUTHOR]

Previous studies commonly used dual laterolog or induction logging in vertical wells to study fractured reservoirs. However, there are few studies about the response characteristics of dual induction logging of horizontal wells in fractured reservoirs, which interferes with the evaluation of horizontal wells in fractured reservoirs. In this study, firstly, the finite element method is used to establish the fractured reservoir model and the dual induction instrument of horizontal well. Then, the response characteristics of dual induction logging in fractured reservoirs with different fracture conductivity, fracture dip angle, fracture width and fracture length are simulated and analyzed. The results show the response characteristics as follows: (1) The apparent conductivity of dual induction logging increases first and then decreases along with the increase of fracture conductivity, when the fracture conductivity is lower than formation conductivity, the apparent conductivity is similar to formation conductivity; (2) The fracture dip angle has little effect on the apparent conductivity of induction logging, when the fracture conductivity is high, the apparent conductivity decreases with the increase of the fracture dip angle; (3) The effect of fracture width and fracture length on apparent conductivity is similar. The larger the fracture width or length, the greater their influence on the apparent conductivity, which is different from the response characteristics of laterologs. In applications, these characteristics can be demonstrated by two wells in the southwest Ordos Basin, China. Finally, advantages and disadvantages of the simulation method, applications, logging responses discussed in detail, as well as the response characteristics and the shielding effect of fractures on electromagnetic waves of dual induction instrument are discussed in detail. The applications and discussions show that this study can provide response characteristics and novel understandings for the evaluations of horizontal wells in fractured reservoirs, especially in areas where dual induction logging is widely used. • The dual induction logging responses of horizontal well in fractured reservoirs were simulated. • The influences of fracture occurrence on dual induction logging were analyzed. • The shielding effect of fractures on the electromagnetic signal of dual induction tools is discussed. [ABSTRACT FROM AUTHOR]

[Display omitted] • New ionic TADF emitters based on O/S-fused arylphosphonium electron acceptors. • Simultaneously attaining high PLQYs, short exciton lifetimes, and high RISC rates. • Realizing solution-processed OLEDs with high EQEs and small efficiency roll-offs. Ionic thermally activated delayed fluorescence (iTADF) materials are newly emerging as promising candidates for constructing solution-processed electroluminescence devices. Developing iTADF materials with high emission efficiency, short exciton lifetime, and fast reverse intersystem crossing (RISC) is crucial for achieving stable and efficient organic light-emitting diodes (OLEDs), but it remains challenging. Here we report two high-performance iTADF emitters, namely DMAC-TPPO[BF 4 ] and DMAC-TPPS[BF 4 ], which consist of a conventional acridine as the electron-donor and newly developed oxygen/sulfur-fused arylphosphonium derivatives as the electron-acceptor. DMAC-TPPO[BF 4 ] and DMAC-TPPS[BF 4 ] exhibit high photoluminescence quantum yields of 77 % and 83 %, coupled with short exciton lifetimes of 1.2 and 1.1 μs, and RISC rate constants reaching up to 2.60 × 106 and 2.73 × 106 s−1, respectively. Theoretical and experimental investigations demonstrate that the imbedding of bridging heteroatoms into the phosphonium cation is pivotal for enhancing emission efficiency through molecular skeleton rigidification, as well as for accelerating the RISC process by capitalizing on the non-metal heavy-atom effect. Eventually, solution-processed OLEDs utilizing DMAC-TPPS[BF 4 ] realize a peak external quantum efficiency (EQE) of 17.8 % and show a minor efficiency roll-off of 7.3 % (EQE = 16.5 %) even at a practical high luminance of 1000 cd/m2. [ABSTRACT FROM AUTHOR]

• Highly efficient ionic TADF emitters with fast RISC and short exciton lifetimes. • The effects of anions on the PL and EL properties are systematically studied. • Realizing high-performance solution-processed iTADF-OLED via anion regulations. Ionic thermally activated delayed fluorescence (iTADF) materials have rarely been reported and applied in organic light emitting diodes (OLEDs) owing to their poor sublimability, photoluminescence (PL) and electroluminescence (EL) performance. It is appealing and challenging to develop iTADF emitters for high-performance OLEDs based on a deep understanding of their structure–property relationship. In this work, we report three new iTADF materials, DMAC-TPP[Br], DMAC-TPP[BF 4 ] and DMAC-TPP[BArF 24 ], which have the same phosphonium-cation-based chromophore and different counter anions. These materials show excellent PL properties, e.g., high photoluminescence quantum yields (PLQYs), short exciton lifetimes and fast reverse intersystem crossing (RISC). The comparative studies reveal that the photophysical properties of these iTADF materials are slightly affected by the anions via molecular configuration, intra-/inter-molecular interactions and molecular stacking. More importantly, we find that the anions play a key role in determining the EL performance of the iTADF emitters. The change of anions can lead to 3-fold increased external quantum efficiency (EQE), over 21-fold increased luminance and significantly suppressed efficiency roll-offs for the iTADF-OLEDs. The solution-processed OLED based on DMAC-TPP[BF 4 ] achieved a EQE of 15.1 % with small efficiency roll-offs of only 0.7 % and 10.6 % at luminance of 100 cd/m2 and 1000 cd/m2, and a maximum luminance of 10400 cd/m2. The significant difference in EL performance is ascribed to the different charge recombination governed by the migration and hole-trapping ability of anions under an electric field. These results motivate the further development of high-performance iTADF materials for EL applications by anion engineering. [ABSTRACT FROM AUTHOR]

Thermally activated delayed fluorescence (TADF) emitters in the long wavelength region usually suffer from severe nonradiative decay according to the energy-gap law, and show relatively large energy split (ΔE ST) between the lowest singlet and triplet excited states which compromise efficient up-conversion. Here, we report three orange and red TADF emitters comprising 5, 10-disubstituted phenazine electron-donor and quinoxaline-derived electron-acceptors, which show excellent TADF properties and yield efficient organic light-emitting diodes (OLEDs). These symmetrical acceptor-donor-acceptor (A-D-A) type and rodlike molecules concurrently exhibit high photoluminescence quantum yields up to 85% and fast reverse intersystem crossing. Experimental and theoretical studies reveal that these excellent photophysical properties are attributed the synergistic effect of structural rigidity, steric hindrance and strength of the donor and acceptor units. Doped OLEDs based on these emitters achieved high maximum external electroluminescence quantum efficiencies up to 19.9%, and maximum luminance surpassing 31240 cd/m2. [Display omitted] • Highly efficient orange to red TADF emitters with high PLQYs (up to 85%) and short TADF lifetimes. • Tiny S 1 -T 1 energy splits and fast spin-flip due to rational molecular design and excited-state regulation. • High-performance OLED with EQE nearly 20%. [ABSTRACT FROM AUTHOR]

Thermally activated delayed fluorescence (TADF) materials with through-space charge transfer (TSCT) have recently attracted extensive attention. However, how to rationally design high-performance TSCT-TADF emitters with small ΔE ST , high photoluminescence quantum yields (PLQYs) and high stability remains challenging. Herein, two triptycene-derived TADF molecules bearing ortho-donor (D)-acceptor (A) conformations are designed and characterized. These emitters exhibit unique V-shaped face-to-face D-A alignments with significant intramolecular D-A interactions, which mediate TSCT between the D and A moieties in addition to the through-bond charge transfer (TBCT) and facilitate realizing small ΔE ST and high efficiencies. Meanwhile, the rigid 3D triptycene scaffold endows the emitters with excellent thermal stability and high film-formation quality. These TADF emitters exhibit small ΔE ST of 6.7 and 10.8 meV and high photoluminescence quantum yields of 0.80 and 0.40 in doped films, respectively. The doped OLEDs employing these emitters achieve high external quantum efficiencies up to 20.5%. [Display omitted] • 3D triptycene scaffold based TADF emitters with photoluminescent efficiency up to 80%. • V-shaped face-to-face D-A conformation for constructing through-space charge transfer (TSCT) pathway. • High performance OLED with EQE beyond 20%. [ABSTRACT FROM AUTHOR]

[Display omitted] • Lock/unlock strategy proposed to manipulate excited states and photophysical properties of TADF materials. • Efficient TADF emitters with high PLQYs (up to 0.91), short TADF lifetimes and excellent stability and film-quality. • High-performance OLED with EQE beyond 25%. Thermally activated delayed fluorescent (TADF) materials have drawn widespread attentions due to their great potential for practical applications in organic light-emitting diodes (OLEDs). Deep understanding of the structure-excited state-photophysical property relationships is a key to rationally design TADF emitters. Herein, two new TADF molecules, TBP-DPXZ and TBQ-DPXZ, which consist of locked (triptycene-fused dibenzophenazine) and unlocked (triptycene-fused 2, 3-diphenylquinoxaline) electron-acceptors respectively and phenoxazine electron donors are reported. The comparative study reveals that the lock/unlock strategy could substantially manipulate the lowest locally excited (LE) and charge transfer (CT) states of these emitters via changing the acceptor strength, structural rigidity, and conjugation length, and in turn lead to significantly different photoluminescence (PL) and electroluminescence (EL) performance. It is notable that the unlocked molecule TBQ-DPXZ emits efficient green fluorescence with photoluminescence quantum yield of 91% and TADF lifetime of 3.6 μs in doped film. The doped OLED based on TBQ-DPXZ achieves an external quantum efficiency (EQE) of 25.1%, a current efficiency (CE) of 79.7 cd/ A, a power efficiency (PE) of 80.0 lm/W, and a maximum luminance of 18400 cd/m2, which are better than those of the TBP-DPXZ-based device and are among the best results reported so far for green TADF-OLEDs. [ABSTRACT FROM AUTHOR]

[Display omitted] • DGA-functionalized MIL-101 crystalline adsorbent was first synthesized. • Eu(III) was separated first from other rare earth elements. • The adsorption order of rare earth was changed compared with traditional adsorbents. • The separation coefficient β (Eu(III) / other rare earth) reached 53.055. • Eu(III) can be separated from interfering ions in the simulation of leaching solution. In this paper, a novel crystalline adsorbent MIL-101-DGA (DGA: Diglycolic Anhydride) is synthesized, which can change the order of traditional rare earth separation. This study is different from previously rare earth separation materials in which it can separate europium (III) first from other rare earth ions. The experiments result show that the separation coefficient (β) of preferentially separated europium (III) and other rare earth ions could reach 53.055, and the maximum adsorption capacity in the experiment was 33 mg/g. Density functional theory was used to calculate the absolute hardness of MIL-101-DGA from the perspective of hard-soft-acid-base theory, which explained the selective adsorption mechanism. Using MIL-101-DGA as an adsorbent, it can effectively recover Eu from the metal impurities Al, Ca, Cu, Mn, Zn and Y from the simulated phosphor leaching solution and has excellent recyclability. In summary, we believe that MIL-101-DGA is a new type of adsorbent that can effectively separate europium from rare earth and transition metal ions. [ABSTRACT FROM AUTHOR]

KVPO 4 F (KVPF) is a novel insertion-type anode for potassium ion batteries. For improving its electrochemical performance, the doping strategy was selected and a series of Fe-doped KVPF materials were synthesized by a facile solid-state sintering method to find out the suitable ratio. After comparation, KVPF sample with 5 % Fe-doped ratio (KVPF/Fe-5) delivers the best performance, e.g. rate capacity (94.3 mA h g -1 at 500 mA g -1 ) and long-term discharge capacity (74.1 mA h g -1 after 1000 cycles at 200 mA g -1 , 0.03 % capacity decay ratio per cycle), which is mainly attributed to its larger K + diffusion rate. The in-situ X-ray diffraction analysis clarify the two-step K + storage mechanism of KVPF/Fe-5 anode, and the density functional theory calculations verify that Fe-doping can reduce diffusion energy barrier of K + and increase electronic conductivity of KVPF. When used as cathode, KVPF/Fe-5 delivers 51.8 mA h g -1 at 100 mA g -1 after cycling 200 cycles. In addition, the symmetric cell by employing KVPF/Fe-5 as anode and cathode simultaneously was also assembled successfully, pointing out a new research direction for potassium-ion batteries., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2025 Elsevier Inc. All rights reserved.)

Designing all-inorganic double perovskites through element mixing is a promising strategy to enhance their optoelectronic performance and structural stability. The complex interplay between multilevel structures and optoelectronic properties in element-mixed double perovskites necessitates further in-depth theoretical exploration. In this study, we employ screening strategies and multiscale simulations combining first-principles methods and device-scale continuum models to identify two novel element-mixed compounds, Rb 2 AgInCl 3 I 3 and Cs 2 AgInCl 3 I 3 , as promising candidates for photovoltaic applications. These compounds exhibit favorable structural factors and suitable direct band gaps. Theoretical investigations using first-principles methods with the HSE06 functional reveal direct band gaps of 0.98 and 1.26 eV for Rb 2 AgInCl 3 I 3 and Cs 2 AgInCl 3 I 3 , respectively, with corresponding optical absorption coefficients exceeding 10 5 cm -1 in the visible light range. Cs 2 AgInCl 3 I 3 features high charge mobilities of approximately 20 cm 2 ·V -1 ·s -1 and a notable single-junction spectroscopic limited maximum efficiency (SLME) of 25.54%. Further analysis using the device-scale continuum model simulated the nonradiative recombination effects on power conversion efficiency, integrating quantum-mechanically calculated optoelectronic properties. These theoretical investigations, which bridge composition engineering with multiscale simulations, provide valuable insights into screening novel, lead-free, halogen - mixed double metal perovskite optoelectronic devices, highlighting their potential for high-performance solar energy applications.

Simultaneously achieving a high photoluminescence quantum yield (PLQY), ultrashort exciton lifetime, and suppressed concentration quenching in thermally activated delayed fluorescence (TADF) materials is desirable yet challenging. Here, a novel acceptor-donor-acceptor type TADF emitter, namely, 2BO-sQA, wherein two oxygen-bridged triarylboron (BO) acceptors are arranged with cofacial alignment and positioned nearly orthogonal to the rigid dispirofluorene-quinolinoacridine (sQA) donor is reported. This molecular design enables the compound to achieve highly efficient (PLQYs up to 99%) and short-lived (nanosecond-scale) blue TADF with effectively suppressed concentration quenching in films. Consequently, the doped organic light-emitting diodes (OLEDs) base on 2BO-sQA achieve exceptional electroluminescence performance across a broad range of doping concentrations, maintaining maximum external quantum efficiencies (EQEs) at over 30% for doping concentrations ranging from 10 to 70 wt%. Remarkably, the nondoped blue OLED achieves a record-high maximum EQE of 26.6% with a small efficiency roll-off of 14.0% at 1000 candelas per square meter. By using 2BO-sQA as the sensitizer for the multiresonance TADF emitter ν-DABNA, TADF-sensitized fluorescence OLEDs achieve high-efficiency deep-blue emission. These results demonstrate the feasibility of this molecular design in developing TADF emitters with high efficiency, ultrashort exciton lifetime, and minimal concentration quenching., (© 2024 Wiley‐VCH GmbH.)

Thermally activated delayed fluorescence (TADF) emitters based on the triptycene skeleton demonstrate exceptional performance, superior stability, and low efficiency roll-off. Understanding the interplay between the luminescent properties of triptycene-TADF molecules and their assembly environments, along with their excited-state characteristics, necessitates a comprehensive theoretical exploration. Herein, we predict the photophysical properties of triptycene-TADF molecules in a thin film environment using the quantum mechanics/molecular mechanics method and quantify their substantial dependency on the heavy atom effects and reorganization energies using the Marcus-Levich theory. Our calculated photophysical properties for two recently reported molecules closely align with experimental values. We design three novel triptycene-TADF molecules by incorporating chalcogen elements (O, S, and Se) to modify the acceptor units. These newly designed molecules exhibit reduced reorganization energies and enhanced reverse intersystem crossing (RISC) rates. The heavy atom effect amplifies spin-orbit coupling, thereby facilitating the RISC process, particularly at a remarkably high rate of ∼10 9 s -1 .

Recently, thermally activated delayed fluorescence (TADF) molecules with through-space charge transfer (TSCT) features have been widely applied in developing organic light-emitting diodes with high luminescence efficiencies. The performance of TSCT-TADF molecules depends highly on their molecular structures. Therefore, theoretical investigation plays a significant role in designing novel highly efficient TSCT-TADF molecules. Herein, we theoretically investigate two recently reported TSCT-TADF molecules, 1'-(2,12-di- t -butyl[1,4]benzoxaborinino[2,3,4- kl ]phenoxaborinin-7-yl)-10-phenyl-10 H -spiro[acridine-9,9'-fluorene] (AC-BO) and 1-(2,12-di- t -butyl[1,4]benzoxaborinino[2,3,4- kl ]phenoxaborinin-7-yl)-9',9'-dimethyl-9' H -spiro [fluorene-9,5'-quinolino[3,2,1- de ]acridine](QAC-BO). The calculated photophysical properties ( e.g. excited state energy levels and luminescence properties) for these two compounds are in good agreement with experimental data. Based on the systematic analysis of structure-performance relationships, we design three novel TSCT-TADF molecules with high molecular rigidity and evident TSCT features, i.e. , DQAC-DBO, DQAC-SBO, and DQAC-NBO. They exhibit deep-blue light emissions and fast reverse intersystem crossing rates ( K RISC s). Our calculations demonstrate that the nearly coplanar orientation of the donor and acceptor is critical to achieve remarkable K RISC s and fluorescence efficiencies in TSCT-TADF molecules.

Designing and synthesizing fullerene bisadducts with a higher-lying conduction band minimum is promising to further improve the device performance of tin-based perovskite solar cells (TPSCs). However, the commonly obtained fullerene bisadduct products are isomeric mixtures and require complicated separation. Moreover, the isomeric mixtures are prone to resulting in energy alignment disorders, interfacial charge loss, and limited device performance improvement. Herein, we synthesized single-isomer C 60 - and C 70 -based diethylmalonate functionalized bisadducts (C 60 BB and C 70 BB) by utilizing the steric-hindrance-assisted strategy and determined all molecular structures involved by single crystal diffraction. Meanwhile, we found that the different solvents used for processing the fullerene bisadducts can effectively regulate the molecular packing in their films. The dense and amorphous fullerene bisadduct films prepared by using anisole exhibited the highest electron mobility. Finally, C 60 BB- and C 70 BB-based TPSCs showed impressive efficiencies up to 14.51 and 14.28%, respectively. These devices also exhibited excellent long-term stability. This work highlights the importance of developing strategies to synthesize single-isomer fullerene bisadducts and regulate their molecular packing to improve TPSCs' performance.

Thermally activated delayed fluorescence (TADF) materials with both high photoluminescence quantum yield (PLQY) and fast reverse intersystem crossing (RISC) are strongly desired to realize efficient and stable organic light-emitting diodes (OLEDs). Control of excited-state dynamics via molecular design plays a central role in optimizing the PLQY and RISC rate of TADF materials but remains challenging. Here, 3 TADF emitters possessing similar molecular structures, similar high PLQYs (89.5% to 96.3%), and approximate energy levels of the lowest excited singlet states (S 1 ), but significantly different spin-flipping RISC rates (0.03 × 10 6 s -1 vs. 2.26 × 10 6 s -1 ) and exciton lifetime (297.1 to 332.8 μs vs. 6.0 μs) were systematically synthesized to deeply investigate the feasibility of spin-flip between charge-transfer excited states ( 3 CT- 1 CT) transition. Experimental and theoretical studies reveal that the small singlet-triplet energy gap together with low RISC reorganization energy between the 3 CT and 1 CT states could provide an efficient RISC through fast spin-flip 3 CT- 1 CT transition, without the participation of an intermediate locally excited state, which has previously been recognized as being necessary for realizing fast RISC. Finally, the OLED based on the champion TADF emitter achieves a maximum external quantum efficiency of 27.1%, a tiny efficiency roll-off of 4.1% at 1,000 cd/m 2 , and a high luminance of 28,150 cd/m 2 , which are markedly superior to those of the OLEDs employing the other 2 TADF emitters., (Copyright © 2023 Donghai Zhang et al.)

PFAS (per- and polyfluoroalkyl substances) are omnipresent in the environment and their transportation and transformation have attracted increased attention. Microplastics are another potential risk substances that can serve as a carrier for ubiquitous pollutants, thus affecting the presence of PFAS in the environment. In this study, the adsorption of perfluorooctane sulfonamide (FOSA) and perfluorooctanoic acid (PFOA) on four microplastics (PE, PVC, PS, and PTFE) and their effect on the photodegradation of FOSA were studied. The adsorption capacity of FOSA by PS was the highest, in similar, PS displayed the highest adsorption capacity in the presence of PFOA. Different effects of pH and salinity on the adsorption of FOSA and PFOA were observed among different microplastics indicating inconsistent interaction mechanisms. Furthermore, FOSA could be photodegraded, with PFOA as the main product, while the presence of microplastics had a negligible effect on the degradation of this contaminant. The results indicated that microplastics could act as PFAS concentrators. Moreover, their photochemical inertias make the pollutants enriched on microplastics more resistant to degradation., Competing Interests: Declaration of Competing Interest We declare that we do not have any commercial or associative interest that represents a conflict of interest in connection with the work submitted., (Copyright © 2022. Published by Elsevier B.V.)

Developing novel lead-free perovskite materials with suitable bandgaps and superior thermal stability is crucial to boost their applications in next-generation photovoltaic technologies. High throughput screening combined with the first principles method can accurately and effectively screen out promising perovskites. Herein, we select two lead-free all-inorganic halide double perovskite materials Cs 2 KMI 6 (M = Ga, In) from 1026 compounds with the criteria including appropriate structure factors, positive decomposition energies, and suitable direct bandgaps. We investigated the thermal and mechanical stability, geometric and electronic structures, photoelectric properties, and defect formation energies for both perovskites Cs 2 KMI 6 (M = Ga, In). They can exhibit excellent structural formability and stability through the analysis of structure factors, elastic constants, and stable chemical potential regions. In addition, we investigate the defect effects of Cs 2 KMI 6 (M = Ga, In) on the photovoltaic performance by evaluating the defect formation energies and transition energy levels. Based on the HSE06 functional, we calculated the energy band structures of these two compounds and demonstrate the direct bandgaps of 1.69 eV (HSE06) and 2.16 eV (HSE06) for Cs 2 KGaI 6 and Cs 2 KInI 6 , respectively. Moreover, we predicted excellent spectroscopic limited maximum efficiencies (SLMEs) of these two perovskites with high light absorption coefficients (around 10 5 cm -1 ), for instance, the SLME of Cs 2 KGaI 6 can reach as high as 28.39%.

Tin-based perovskite solar cells (TPSCs) are attracting intense research interest due to their excellent optoelectric properties and eco-friendly features. To further improve the device performance, developing new fullerene derivatives as electron transporter layers (ETLs) is highly demanded. Four well-defined regioisomers (trans-2, trans-3, trans-4, and e) of diethylmalonate-C 60 bisadduct (DCBA) are isolated and well characterized. The well-defined molecular structure enables us to investigate the real structure-dependent effects on photovoltaic performance. It is found that the chemical structures of the regioisomers not only affect their energy levels, but also lead to significant differences in their molecular packings and interfacial contacts. As a result, the devices with trans-2, trans-3, trans-4, and e as ETLs yield efficiencies of 11.69%, 14.58%, 12.59%, and 10.55%, respectively, which are higher than that of the as-prepared DCBA-based (10.28%) device. Notably, the trans-3-based device also demonstrates a certified efficiency of 14.30%, representing one of the best-performing TPSCs., (© 2023 Wiley-VCH GmbH.)

Since the COVID-19 pandemic broke out in 2019, neuroticism has been proven a predictor of fear of COVID-19 infection. However, only few studies have been conducted on the factors affecting the relationship between neuroticism and this kind of fear. The present study is aimed at analyzing the role intolerance of uncertainty (IU) and sense of control (SOC) play in relation to neuroticism and the fear of COVID-19. We conducted a cross-sectional study in Guangdong and Guangxi provinces, China, and we collected complete datasets from 792 high school students. The main results can be described as follows: (a) individuals with high neuroticism tended to have higher intolerance of uncertainty (IU) and a lower sense of control (SOC); (b) IU and SOC played a mediating role between neuroticism and fear of COVID-19, and a serial mediation effect was found between these factors; (c) after controlling for both IU and SOC, the effect of neuroticism on fear was no longer significant. The results suggested a critical role of IU and sense of control in the causal relationship between neuroticism and fear., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Zhang, Fan, Meng and Zheng.)

A family of molecular capsules, {[(Tp*)Fe(CN) 3 Co(bpy C═N(CH 2 ) 7 N═C bpy)] 2 [X] 2 }·sol ( 1 , X = ClO 4 , sol = 6DMF; 2 , X = PF 6 , sol = 6DMF; 3 , X = OTf, sol = 6DMF; 4 , X = BPh 4 , sol = 2DMF; Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate; bpy = 2,2'-bipyridine), were prepared via the Schiff-base condensation of the aldehyde-substituted bpy (bpy CHO ) and 1,7-diaminoheptane (H 2 N(CH 2 ) 7 NH 2 ). All the complexes contain the same cyanide-bridged cationic square cores ([Fe 2 Co 2 ] 2+ ), which are encapsuled by the flexible alkyl chains. Variable-temperature single-crystal X-ray diffraction, FT-IR spectra, and magnetic studies reveal the abrupt and complete, thermo- and photo-induced electron-transfer-coupled spin transition for 1 - 3 , while the pure high-spin phase for 4 . Such distinct behavior is attributed to the effective long-range cooperative interactions mediated by the intercluster π-π couplings in 1 - 3 , which, however, are significantly blocked in 4 due to the steric effect of interstitial BPh 4 - anions. Furthermore, the shift in the thermally induced transition temperatures of 254 K for 1 , 233 K for 2 , and 187 K for 3 , respectively, is likely correlated to the variable H···O and H···F interactions between the solvent molecules, anions, and the bipyridine ligands of the [Fe 2 Co 2 ] squares, suggesting the significant anion-dependent effect in such a system.

Perfluorooctanoic acid (PFOA), its salts, and related compounds were listed as new persistent organic pollutants by the Stockholm Convention in 2019. In this study, the occurrence of residues of PFOA and other per- and polyfluoroalkyl substances (PFASs) in raw materials and fluoropolymer products from the Chinese fluoropolymer industries are reported for the first time. The PFOA concentrations in raw materials and fluoropolymer products were in the range of 6.7 to 1.1 × 10 6  ng/g, and 3  ng/g, respectively. Generally, the levels of PFOA in raw materials were higher than in products, implying that PFOA in the emulsion/dispersion resin could be partly removed during the polymerization or post-processing steps. By tracking a company's polytetrafluoroethylene (PTFE) production line, it was found that over a 5 year period, the residual levels of PFOA in emulsion samples declined from 1.1 × 10 6 to 28.4 ng/g, indicating that the contamination of PFOA in fluoropolymer products from production source gradually decreased after its use had been discontinued. High concentrations of HFPO-TrA (2.7 × 10 5 to 8.2 × 10 5  ng/g) were detected in some emulsion samples indicating this alternative has been widely applied in fluoropolymer manufacturing in China., (Copyright © 2021. Published by Elsevier B.V.)

Interactive and responsive materials are dynamic molecular systems that are capable of modulating their behavior and adapting to environment autonomously. Photochromic materials are among the fascinating class of dynamic responsive systems and widely used in molecular switches and optoelectronic devices. However, the phototriggered color changing largely relies on the conformation transformation of the photochromic motif, which significantly limited their usage in organic liquid solutions. Herein, we demonstrate a photochromic organic supramolecular system by using electron-rich N,N-dimethylacetamide (DMA) and electron-deficient naphthalenediimide (NDI) as a donor and acceptor, respectively. In the binary system, the photo-induced electron transfer through lone pair···π interactions pathway leads to dynamic photochromic response not only in the solution but also in the crystalline aggregated state. Furthermore, by incorporating the supramolecules in the polymer matrix, the transparent polymeric film also exhibits rapid photochromic response, which makes it a promisingly interactive and adaptive photochromic material., Competing Interests: The authors declare no competing interests., (© 2021 The Author(s).)

Room-temperature phosphorescence (RTP) was realized for the first time in a polyoxometalate-based charge-transfer (CT) hybrid material bearing polyoxometalates (POMs) as electron-donors (D) and rigid naphthalene diimides (NDIs) as electron-acceptors (A), meanwhile, this hybrid material displayed photochromism as well. The significant D-A anion-π interaction induced an additional through-space charge-transfer pathway. The resulting suitable D-A CT states can efficiently bridge the relatively large energy gap between the NDI-localized 1 π-π* and 3 π-π* states and thus trigger the ligand-localized phosphorescence ( 3 π-π*)., (© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)

We developed a model system for blend polymers with electron-donating and -accepting compounds. It is found that the optimal energy conversion efficiency can be achieved when the feature size is around 10 nm. The first reaction method is used to describe the key processes (e.g., the generation, the diffusion, the dissociation at the interface for the excitons, the drift, the injection from the electrodes, and the collection by the electrodes for the charge carries) in the organic solar cell by the dynamic Monte Carlo simulation. Our simulations indicate that a 5% power conversion efficiency (PCE) is reachable with an optimum combination of charge mobility and morphology. The parameters used in this model study correspond to a blend of novel polymers (bis(thienylenevinylene)-substituted polythiophene and poly(perylene diimide-alt-dithienothiophene)), which features a broad absorption and a high mobility. The I-V curves are well-reproduced by our simulations, and the PCE for the polymer blend can reach up to 2.2%, which is higher than the experimental value (>1%), one of the best available experimental results up to now for the all-polymer solar cells. In addition, the dependency of PCE on the charge mobility and the material structure are also investigated.