High-Performance Organic Solar Cells Containing Pyrido[2,3-b]quinoxaline-Core-Based Small-Molecule Acceptors with Optimized Orbit Overlap Lengths and Molecular Packing

The central core in A-DA₁D-A-type small-molecule acceptor (SMAs) plays an important role in determining the efficiency of organic solar cells (OSCs), while the principles governing the efficient design of SMAs remain elusive. Herein, we developed a series of SMAs with pyrido[2,3-b]quinoxaline (PyQx) as new electron-deficient unit by combining with the cascade-chlorination strategy, namely Py1, Py2, Py3, Py4 and Py5. The introduction of chlorine atoms reduces the intramolecular charge transfer effects but elevates the LUMO values. Density functional theory (DFT) reveals that Py2 with ortho chlorine substituted PyQx and Py5 with two chlorine atoms yield larger dipole moments and smaller π⋅⋅⋅π stacking distances, as compared with the other three acceptors. Moreover, Py2 shows the strongest light absorption capability induced by extended orbit overlap lengths and more efficient packing structures in the dimers. These features endow the best device performance of Py2 due to the better molecular packing and aggregation behaviors, more suitable domain sizes with better exciton dissociation and charge recombination. This study highlights the significance of incorporating large dipole moments, small π⋅⋅⋅π stacking distances and extended orbit overlap lengths in dimers into the development of high-performance SMAs, providing insight into the design of efficient A-DA₁D-A-type SMAs for OSCs.     

Voltage-Mediated Water Dynamics Enables On-Demand Transport of Sugar Molecules in Two-Dimensional Channels

The constructing of artificial channels with gating functions is an important undertaking for gaining insight into biological process and achieving efficient bionic functions. Typically, controllable transport within such channels relies on either electrostatic or specific interactions between the transporting species and the channel. However, for molecules with weak interactions with the channel, achieving precise gating of the transport remains a significant challenge. In this regard, this study proposes a voltage gating membrane of two-dimensional channels that selectively transport of neutral molecules glucose with a dimension of 0.60 nm. The permeation of glucose is switched on/off by electrochemically manipulating the water dynamics in the nanochannel. Voltage driven-intercalation of ion into the two-dimensional channel causes water to stratify and move closer to the channel walls, thereby resulting in the channel center being emptier for glucose diffusion. Due to the sub-nanometer size dimension of the channel, selective permeation of glucose over sucrose is also achieved in this approach.     

Charging Metal-Organic Framework Membranes by Incorporating Crown Ethers to Capture Cations for Ion Sieving

Protein channels on the biofilm conditionally manipulate ion transport via regulating the distribution of charge residues, making analogous processes on artificial membranes a hot spot and challenge. Here, we employ metal–organic frameworks (MOFs) membrane with charge-adjustable subnano-channel to selectively govern ion transport. Various valent ions are binded with crown ethers embedded in the MOF cavity, which act as charged guest to regulate the channels’ charge state from the negativity to positivity. Compared with the negatively charged channel, the positive counterpart obviously enhances Li⁺/Mg²⁺ selectivity, which benefit from the reinforcement of the electrostatic repulsion between ions and the channel. Meanwhile, theoretical calculations reveal that Mg²⁺ transport through the more positively charged channel needed to overcome higher entrance energy barrier than that of Li⁺. This work provides a subtle strategy for ion-selective transport upon regulating the charge state of insulating membrane, which paves the way for the application like seawater desalination and lithium extraction from salt lakes.     

Achieving 16.68% efficiency ternary as-cast organic solar cells

State-of-the-art organic solar cells(OSCs)often require the use of high-boiling point additive or post-treatment such as temperature annealing and solvent vapor annealing to achieve the best efficiency.However,additives are not desirable in largescale industrial printing process,while post-treatment also increases the production cost.In this article,we report highly efficient ternary OSCs based on PM6:BTP-Cl Br1:BTP-2O-4Cl-C12(weight ratio=1:1:0.2),with 16.68%power conversion efficiency(PCE)for as-cast device,relatively close to its annealed counterpart(17.19%).Apart from obvious energy tuning effect and complementary absorption spectra,the improved PCE of ternary device is mainly attributed to improved morphological properties including the more favorable materials miscibility,crystallinity,domain size and vertical phase separation,which endorse suppressed recombination.The result of this work provides understanding and guidance for high-performance as-cast OSCs through the ternary strategy.     

Carbon nanospheres for highly sensitive electrochemical detection of sequence-specific protein-DNA interactions

A carbon nanosphere-based electrochemical detection method is developed for the highly sensitive detection of Sp1-DNA interactions.     

Enhanced separation performance of PVDF/PVP-g-MMT nanocomposite ultrafiltration membrane based on the NVP-grafted polymerization modification of montmorillonite (MMT)

A novel hydrophilic nanocomposite additive (PVP-g-MMT), coupling of hydrophilic modifier, self-dispersant, and pore-forming agent (porogen), was synthesized by the surface modification of montmorillonite (MMT) with N-vinylpyrrolidone (NVP) via "grafting from" polymerization in the presence of H(2)O(2)-NH(3)·H(2)O as the initiator, and then the nanocomposite membrane of poly(vinylidene fluoride) (PVDF) and PVP-g-MMT was fabricated by wet phase inversion onto clean glass plates. The existence and dispersion of PVP-g-MMT had a great role on structures, morphologies, surface composition, and chemistry of the as-prepared nanocomposite membranes confirmed by varieties of spectroscopic and microscopic characterization techniques, all of which were the correlated functions of PVP-g-MMT content in casting solution. By using the dead-end filtration of protein aqueous solution, the performance of the membrane was evaluated. It was seen that all of the nanocomposite membranes showed obvious improvement of water flux and proper BSA rejection ratio, compared to the control PVDF membrane. Meanwhile, dynamic BSA fouling resistance and flux recovery properties were also greatly enhanced due to the changes of surface hydrophilicity and morphologies. All the experimental results indicated that the as-prepared PVDF nanocomposite membranes showed better separation performances than the control PVDF membrane. Hopefully, the demonstrated method of hydrophilic nanocomposite additive synthesis would be applied for commonly hydroxyl group-containing inorganic nanoparticles, which was favorable to fabricate hydrophilic nanoparticle-enhanced polymer membranes for water treatment.     

求解修正的Helmholtz方程关于非光滑区域问题

研究了修正的(纯虚波数)Helmholtz方程在阻尼边界条件下,求解含单个角点的闭区域问题.通过采用单双层混合位势来表示其解,进而对其角型区域进行求解.最后,通过数值例子来说明此方法的可行性与可靠性.     

低品位余热驱动制冷问题的探讨

低品位余热的回收应用于制冷是节能减排、保护环境的有效方法之一。文中介绍了目前常用的两种余热驱动制冷的方式,并重点介绍了各种热源应用于溴化锂制冷的情况,最后比较了不同温度热水应用于溴冷机的区别,为余热回收应用于制冷提供理论参考。     

A reduced FE formulation based on POD method for hyperbolic equations

A proper orthogonal decomposition (POD) method was successfully used in the reduced-order modeling of complex systems. In this paper, we extend the applications of POD method, namely, apply POD method to a classical finite element (FE) formulation for second-order hyperbolic equations with real practical applied background, establish a reduced FE formulation with lower dimensions and high enough accuracy, and provide the error estimates between the reduced FE solutions and the classical FE solutions and the implementation of algorithm for solving reduced FE formulation so as to provide scientific theoretic basis for service applications. Some numerical examples illustrate the fact that the results of numerical computation are consistent with theoretical conclusions. Moreover, it is shown that the reduced FE formulation based on POD method is feasible and efficient for solving FE formulation for second-order hyperbolic equations.     

Particulate aggregation through a modulated annular one-dimensional acoustic field at resonant frequencies

The visualization and analysis of a novel acoustic-particulate system is the objective of this study.The system is composed of rice-husk fired smoke particulate...