Studying the Thermodynamic Phase Stability of Organic-Inorganic Hybrid Perovskites Using Machine Learning.

As an important photovoltaic material, organic-inorganic hybrid perovskites have attracted much attention in the field of solar cells, but their instability is one of the main challenges limiting their commercial application. However, the search for stable perovskites among the thousands of perovskite materials still faces great challenges. In this work, the energy above the convex hull values of organic-inorganic hybrid perovskites was predicted based on four different machine learning algorithms, namely random forest regression (RFR), support vector machine regression (SVR), XGBoost regression, and LightGBM regression, to study the thermodynamic phase stability of organic-inorganic hybrid perovskites. The results show that the LightGBM algorithm has a low prediction error and can effectively capture the key features related to the thermodynamic phase stability of organic-inorganic hybrid perovskites. Meanwhile, the Shapley Additive Explanation (SHAP) method was used to analyze the prediction results based on the LightGBM algorithm. The third ionization energy of the B element is the most critical feature related to the thermodynamic phase stability, and the second key feature is the electron affinity of ions at the X site, which are significantly negatively correlated with the predicted values of energy above the convex hull (Ehull). In the screening of organic-inorganic perovskites with high stability, the third ionization energy of the B element and the electron affinity of ions at the X site is a worthy priority. The results of this study can help us to understand the correlation between the thermodynamic phase stability of organic-inorganic hybrid perovskites and the key features, which can assist with the rapid discovery of highly stable perovskite materials.

Highly efficient photocatalyst fabricated from the recycling of heavy metal ions in wastewater for dye degradation.

Water pollution and energy crisis are becoming global and strategic issues that people are closely concerned about. Green and energy-saving photocatalytic technology is developing rapidly in solving global energy crises and environmental pollution problems. Therefore, we propose the "kill two birds with one stone" strategy to design efficient photocatalysts for dye wastewater treatment by utilizing heavy metal ions in wastewater. The adsorption properties of Mordenite (MOR) were utilized to removal heavy metal ions (Cd2+ and Zn2+) from waste water, and the adsorbed heavy metal ions were dried and sulfurized to obtain CdS/ZnS/MOR(ZnCdM). Then, g-C3N4 was ultrasonically dispersed and composited with ZnCdM by self-assembly, 25 wt% ZnCdCM photocatalytic material was obtained with a degradation rate of 99.8% in 1.5 h for Rhodamine B(RhB). It was found that MOR can provid adequate support for active substances, and the surface of MOR with smaller sizes of CdS nanoparticles, ZnS nanoparticles and g-C3N4 nanosheets, which increased the specific surface area of the materials and improved the reactivity. The porous structure of MOR is favorable for the enrichment of RhB, and the electric field effect of MOR leads to the decrease of the photogenerated carrier complex rate in the semiconductor, which increases the catalytic efficiency. In addition, the double Z charge transfer mechanism formed by CdS, ZnS, g-C3N4 is favorable for separating photogenerated carriers. These synergistic effects improved the photocatalytic efficiency. This strategy will be a green and promising solution to water pollution and energy crisis.

Revealing the effect of conductive carbon materials on the sodium storage performance of sodium iron sulfate.

Na2Fe2(SO4)3 (NFS), as a promising cathode for sodium-ion batteries, is still plagued by its poor intrinsic conductivity. In general, hybridization with carbon materials is an effective strategy to improve the sodium storage performance of NFS. However, the role of carbon materials in the electrochemical performance of NFS cathode materials has not been thoroughly investigated. Herein, the effect of carbon materials was revealed by employing various conductive carbon materials as carbon sources. Among these, the NFS coated with Ketjen Black (NFS@KB) shows the largest specific surface area, which is beneficial for electrolyte penetration and rapid ionic/electronic migration, leading to improved electrochemical performance. Therefore, NFS@KB shows a long cycle life (74.6 mA h g-1 after 1000 cycles), superior rate performance (61.5 mA h g-1 at a 5.0 A g-1), and good temperature tolerance (-10 °C to 60 °C). Besides, the practicality of the NFS@KB cathode was further demonstrated by assembling a NFS@KB//hard carbon full cell. Therefore, this research indicates that a suitable carbon material for the NFS cathode can greatly activate the sodium storage performance.

Circularly polarized blue fluorescence based on chiral heteroleptic six-coordinate bis-pyrazolonate-Zn2+ complexes.

Applying molecular design to chiral organo-Zn2+ complexes, a new pair of chiral heteroleptic bis-pyrazolonate-Zn2+ enantiomers [Zn(PMBP)2(1R,2R-Chxn)] (R,R-Zn2+; HPMBP = 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone and 1R,2R-Chxn = (1R,2R)-cyclohexane-1,2-diamine) and [Zn(PMBP)2(1S,2S-Chxn)] (S,S-Zn2+; 1S,2S-Chxn = (1S,2S)-cyclohexane-1,2-diamine) have been synthesized and characterized in terms of photophysical and thermodynamic properties. In addition to a small Flack parameter (0.05(3)) associated with the solid-state elucidation of S,S-Zn2+, the circular dichroism (CD) and circularly polarized light (CPL) spectra for the chiral Zn2+ enantiomers show perfect mirror symmetry, establishing that the enantiopure 1,2-diamines successfully induce the optical isomerism of R,R-Zn2+ and S,S-Zn2+. As a result of the combined strong chiral induction capability of chiral 1,2-diamines and excellent photophysical properties of the pyrazolone ligand (PMBP)-, the two Zn2+ enantiomers exhibit high-quality pure blue fluorescence (ΦPL = 9-10%) and significant CPL activity (|glum| = 0.0065-0.0068). The heteroleptic strategy adopted in this study offers a new route to develop high-performance chiroptical luminophores.

Improve the Charge Carrier Transporting in Two-Dimensional Ruddlesden-Popper Perovskite Solar Cells.

Conventional 3D organic-inorganic halide perovskite materials have shown substantial potential in the field of optoelectronics, enabling the power conversation efficiency of solar cells beyond 26%. A key challenge limiting the further commercial application of 3D perovskite solar cells is their inherent instability over outer oxygen, humidity, light, and heat. By contrast, 2D Ruddlesden-Popper (2DRP) perovskites with bulky organic cations can effectively stabilize the inorganic slabs, yielding excellent environmental stability. However, the efficiencies of 2DRP perovskite solar cells are much lower than those of the 3D counterparts due to poor charge carrier transporting property of insulating bulky organic cations. Their inner structural, dielectric, optical, and excitonic properties remain to be primarily studied. In this review, the main reasons for the low efficiency of 2DRP perovskite solar cells are first analyzed. Next, a detailed description of various strategies for improving the charge carrier transporting of 2DRP perovskites is provided, such as bandgap regulation, perovskite crystal phase orientation and distribution, energy level matching, interfacial modification, etc. Finally, a summary is given, and the possible future research directions and methods to achieve high-efficiency and stable 2DRP perovskite solar cells are rationalized.

Enabling Wasted A4 Papers as a Promising Carbon Source to Construct Partially Graphitic Hierarchical Porous Carbon for High-Performance Aqueous Zn-Ion Storage.

Considering the superiorities of abundance, easy collection, low cost, and nearly constant composition, the wasted A4 papers are deemed as a recyclable and scalable carbon source to fabricate functional carbon materials for Zn-ion hybrid supercapacitors (ZIHSCs), which integrate the supercapacitors' high-power output and batteries' high energy density. Herein, the wasted A4 papers are efficiently converted into an advanced carbon material owning a hierarchical porous structure with a high surface area and interconnected multiscale channels, a graphitic structure, and a good level of N/O codoping. By taking advantage of these features, an express electron/ion transfer pathway, a large accessible surface interface, and a robust architecture are achieved for swift kinetics, numerous active sites, and excellent steadiness to afford a charming Zn2+ storage capability for the aqueous coin-type ZIHSC device (a high capacity of 244 mAh g-1 at 0.1 A g-1 with a capacity conservation of 116.4 mAh g-1 even amplifying the current density by 200 times, a supreme energy density of 190.4 Wh kg-1, a supreme power output of 18 kW kg-1, and an eminent durability of 93.8% over 10,000 cycles at 10 A g-1). Excitingly, the quasi-solid ZIHSC device also bespeaks an enjoyable capacity of 211.7 mAh g-1, a high energy density of 159.3 Wh kg-1, good mechanical flexibility, and a low self-discharge rate. This work puts forward a simple and scalable strategy to enable the wasted A4 paper as a competitive carbon source to construct advanced cathode material for Zn2+ storage.

Promoting Ruddlesden-Popper Perovskite Formation by Tailoring Spacer Intramolecular Interaction for Efficient and Stable Solar Cells.

Low-dimensional Ruddlesden-Popper phase (LDRP) perovskites are widely studied in the field of photovoltaics due to their tunable energy-band properties, enhanced photostability, and improved environmental stability compared to the 3D perovskites. However, the insulating spacers with weak intramolecular interaction used in LDRP materials limit the out-of-plane charge transport, leading to poor device performance of LDRP perovskite solar cells (PSCs). Here, a functional ligand, 3-guanidinopropanoic acid (GPA), which is capable of forming strong intramolecular hydrogen bonds through the carboxylic acid group, is employed as an organic spacer for LDRP PSCs. Owing to the strong interaction between GPA molecules, high-quality LDRP (GPA)2(MA)n-1PbnI3n+1 film with promoted formation of n = 5 phase, improved crystallinity, preferential vertical growth orientations, reduced trap-state density, and prolonged carrier lifetime is achieved using GPAI as the dimensionality regulator compared to butylamine hydroiodide (BAI). As a result, GPA-based LDRP PSC exhibits a champion power conversion efficiency of 18.16% that is much superior to the BA-based LDRP PSC (15.43%). Importantly, the optimized GPA-based LDRP PSCs without encapsulation show enhanced illumination, thermal, storage, and humidity stability compared to BA-based ones. This work provides new insights into producing high n value LDRP films and their efficient and stable PSCs.

Dual Function of the Third Component in Ternary Organic Solar Cells: Broaden the Spectrum and Optimize the Morphology.

Ternary organic solar cells (T-OSCs) have attracted significant attention as high-performance devices. In recent years, T-OSCs have achieved remarkable progress with power conversion efficiency (PCE) exceeding 19%. However, the introduction of the third component complicates the intermolecular interaction compared to the binary blend, resulting in poor controllability of active layer and limiting performance improvement. To address these issues, dual-functional third components have been developed that not only broaden the spectral range but also optimize morphology. In this review, the effect of the third component on expanding the absorption range of T-OSCs is first discussed. Second, the extra functions of the third component are introduced, including adjusting the crystallinity and molecular stack in active layer, regulating phase separation and purity, altering molecular orientation of the donor or acceptor. Finally, a summary of the current research progress is provided, followed by a discussion of future research directions.

Expression of concern: Synthesis of a Fe3O4@P4VP@metal-organic framework core-shell structure and studies of its aerobic oxidation reactivity.

Expression of concern for 'Synthesis of a Fe3O4@P4VP@metal-organic framework core-shell structure and studies of its aerobic oxidation reactivity' by Zongcheng Miao et al., RSC Adv., 2017, 7, 2773-2779, https://doi.org/10.1039/C6RA25820D.

Hollow carbon spheres derived from self-assembled chitosan/poly(γ-glutamic acid) nanoparticles for oil-in-water emulsion separation.

With the rapid science and technology advancement, the oil-water separation in oily wastewater has become an urgent problem, especially the emulsified oil-water mixtures. Hollow carbon spheres (HCSs) have tremendous potential in separating oil-water emulsions due to their rich porous channels and high surface-to-volume ratio. In this work, as-prepared chitosan/poly(γ-glutamic acid) nanoparticles crosslinked by Ni2+ (Ni2+/CS/γ-PGA NPs) were used as carbon precursor to fabricate HCSs. This strategy separated the formation process of the biomolecular microspheres and the carbonization process. Especially, the Ni2+/CS/γ-PGA NPs were fabricated from the self-assembly of chitosan and γ-PGA in aqueous solution and the crosslinking of Ni2+ via the electrostatic interactions, facilitating the formation of biomolecular microspheres and making the usable of biomolecule-based carbon precursors diversity. After lyophilization, Ni2+/CS/γ-PGA NPs powder was obtained, which was then carbonized in a tube furnace under N2 atmosphere. During the carbonization process, the nickel species aggregated together to form the core of nickel@carbon nanoparticles, and carbon formed the shell. At last, nickel nanoparticles were removed from the carbon framework by hydrochloric acid, obtaining HCSs with super-hydrophobicity and lipophilicity. The as-prepared HCSs exhibited excellent separation performance in oil-in-water emulsions.

Research Progress on Intrinsically Conductive Polymers and Conductive Polymer-Based Composites for Electromagnetic Shielding.

Electromagnetic shielding materials are special materials that can effectively absorb and shield electromagnetic waves and protect electronic devices and electronic circuits from interference and damage by electromagnetic radiation. This paper presents the research progress of intrinsically conductive polymer materials and conductive polymer-based composites for electromagnetic shielding as well as an introduction to lightweight polymer composites with multicomponent systems. These materials have excellent electromagnetic interference shielding properties and have the advantages of electromagnetic wave absorption and higher electromagnetic shielding effectiveness compared with conventional electromagnetic shielding materials, but these materials still have their own shortcomings. Finally, the paper also discusses the future opportunities and challenges of intrinsically conductive polymers and composites containing a conductive polymer matrix for electromagnetic shielding applications.

A bistable cholesteric liquid crystal film stabilized by a liquid-crystalline epoxy/thiol compound-based polymer.

Bistable cholesteric liquid crystals have promising application prospects in various fields, such as smart windows and displays. However, the long-term stability of two individual states is not easy to achieve, hindering their practical use. In this research, the bistable feature was enhanced by constructing a microsphere-type polymer with a liquid-crystalline epoxy/thiol monomer in negative dielectric anisotropic cholesteric liquid crystals. Spectroscopic and optical examinations revealed that either the transparent planar state or the opaque focal conic state can be maintained without the aid of an external field. Moreover, they can be switched to each other by applying a high- or low-frequency electric field. Further, factors such as the chemical structure of thiol compounds, curing temperature and curing time were investigated to explore their influences on the micro morphology of the polymer and thereby the electro-optical properties. In addition, the frequency-dependent driving scheme was analysed. Finally, bistable switching was demonstrated using an optimized sample. This energy-efficient bistable film shines light on future applications in smart windows, photonic paper and other electro-optical devices.

Eco-friendly cellulose-based hydrogel functionalized by NIR-responsive multimodal antibacterial polymeric ionic liquid as platform for promoting wound healing.

With the trend of sustainable development and the complex medical environment, there is a strong demand for multimodal antibacterial cellulose wound dressing (MACD) with photothermal therapy (PTT). Herein, a novel MACD fabrication strategy with PTT was proposed and implemented through graft polymerization of an imidazolium ionic liquid monomer containing iron complex anion structure. The fabricated hydrogels exhibited excellent antibacterial properties because of the efficient photothermal conversion ability (68.67 %) of ionic liquids and the intrinsic structural characteristic of quaternary ammonium salts. The antibacterial ratio of cellulosic hydrogel dressings to S. aureus and E. coli could reach 99.57 % and 99.16 %, respectively. Additionally, the fabricated hydrogels demonstrated extremely low hemolysis rates (<5 %) and excellent cell viability (~>85 %). Furthermore, in vivo antibacterial experimental results proved that the fabricated antibacterial dressings could significantly accelerate wound healing. Therefore, the proposed strategy would provide a new method of designing and preparing high-performance cellulose wound dressings.

High-performance functional cellulose foam fabricated with theoretically optimized imidazolium salts for the efficient removal of ciprofloxacin.

With the increasing requirements for sustainable development and environmental protection, the design and development of bio-adsorbent based on the widely sourced cellulose have attracted widespread attention. In this study, a polymeric imidazolium satls (PIMS) functionalized cellulose foam (CF@PIMS) was conveniently fabricated. It was then employed to efficiently remove ciprofloxacin (CIP). Three imidazolium salts containing phenyl groups that can lead to multiple interactions with CIP were elaborately designed and then screened through a combination of molecular simulation and removal experiments to acquire the most significant binding ability of CF@PIMS. Besides, the CF@PIMS retained the well-defined 3D network structure as well as high porosity (90.3 %) and total intrusion volume (6.05 mL g-1) as the original cellulose foam (CF). Therefore, the adsorption capacity of CF@PIMS reached an astonishing value of 736.9 mg g-1, nearly 10 times that of the CF. Furthermore, the pH-affected and ionic strength-affected adsorption experiments confirmed that the non-electrostatic interaction took on a critical significance in the adsorption. The reusability experiments showed that the recovery efficiency of CF@PIMS was higher than 75 % after 10 adsorption cycles. Thus, a high-potential method was proposed in terms of the design and preparation of functionalized bio-adsorbent to remove waste matters from samples of the environment.

Effect of Electrospinning Network Instead of Polymer Network on the Properties of PDLCs.

In this study, polymer-dispersed liquid crystal (PDLC) membranes were prepared by combining prepolymer, liquid crystal, and nanofiber mesh membranes under UV irradiation. EM, POM, and electro-optic curves were then used to examine the modified polymer network structure and the electro-optical properties of these samples. As a result, the PDLCs with a specific amount of reticular nanofiber films had considerably improved electro-optical characteristics and antiaging capabilities. The advancement of PDLC incorporated with reticulated nanofiber films, which exhibited a faster response time and superior electro-optical properties, would greatly enhance the technological application prospects of PDLC-based smart windows, displays, power storage, and flexible gadgets.

Dealloying Synthesis of Bimetallic (Au-Pd)/CeO2 Catalysts for CO Oxidation.

The nanorod-structured (Au-Pd)/CeO2 catalysts with different Au/Pd ratios were prepared from Al-Ce-Au-Pd precursor alloys through combined dealloying and calcination treatment. XRD, SEM, TEM, XPS, Raman spectroscopy, and N2 adsorption-desorption measurements were applied to test the structure and physicochemical properties of samples. Catalytic evaluation results imply that the (Pd0.15-Au0.15)/CeO2 catalyst calcined at 500 °C possesses optimal catalytic activity for CO oxidation when compared with other catalysts with different Au/Pd ratios or (Pd0.15-Au0.15)/CeO2 calcined at other temperatures, whose 50% and 99% reaction temperature can be reached as low as 50 and 85 °C, respectively. This superior catalytic property is attributed to their robust nanorod structure and the introduction of noble bimetal Pd and Au, which can construct a nanoscale interface to access fast electron motion, thus enhancing catalytic efficiency.

CeO2-Supported TiO2-Pt Nanorod Composites as Efficient Catalysts for CO Oxidation.

Supported Pt-based catalysts have been identified as highly selective catalysts for CO oxidation, but their potential for applications has been hampered by the high cost and scarcity of Pt metals as well as aggregation problems at relatively high temperatures. In this work, nanorod structured (TiO2-Pt)/CeO2 catalysts with the addition of 0.3 at% Pt and different atomic ratios of Ti were prepared through a combined dealloying and calcination method. XRD, XPS, SEM, TEM, and STEM measurements were used to confirm the phase composition, surface morphology, and structure of synthesized samples. After calcination treatment, Pt nanoparticles were semi-inlayed on the surface of the CeO2 nanorod, and TiO2 was highly dispersed into the catalyst system, resulting in the formation of (TiO2-Pt)/CeO2 with high specific surface area and large pore volume. The unique structure can provide more reaction path and active sites for catalytic CO oxidation, thus contributing to the generation of catalysts with high catalytic activity. The outstanding catalytic performance is ascribed to the stable structure and proper TiO2 doping as well as the combined effect of Pt, TiO2, and CeO2. The research results are of importance for further development of high catalytic performance nanoporous catalytic materials.

Fabrication and catalytic properties of nanorod-shaped (Pt-Pd)/CeO2 composites.

Nanorod-supported (Pt-Pd)/CeO2 catalysts were synthesized by a simple method of dealloying Al91.7Ce8 Pt X Pd0.3-X (X = 0, 0.075, 0.1, 0.15, 0.2, 0.3) alloy ribbons. SEM and TEM characterization implied that after calcination treatment, the achieved resultants exhibited interspersed nanorod structures with a rich distribution of nanopores. Catalytic tests showed that the (Pt0.1-Pd0.2)/CeO2 catalyst calcined at 300 °C exhibited the highest catalyst activity for CO oxidation when compared with other catalysts prepared at different noble metal ratios or calcined at other temperatures, whose complete reaction temperature was as low as 100 °C. The outstanding catalytic performance is ascribed to the stable framework structure, rich gas pathways and collaborative effect between the noble Pt and Pd bimetals.

Water-in-water emulsions stabilized by self-assembled chitosan colloidal particles.

Dextran (Dex) and poly(ethylene glycol) (PEG)-based aqueous emulsions were stabilized using the self-assembled chitosan colloidal particles (CS CPs). Besides, the effects of pH, CS CPs concentration, polymer concentration, volume ratio of PEG solution to Dex solution, temperature, homogenizing speed and homogenizing time on the property of the W/W emulsions were investigated, respectively. In order to enhance the stability of the PEG-Dex emulsion, sodium tripolyphosphate was used to cross-link the CS CPs at the interface of emulsion droplets, which resulted in the stability duration for >1 year. Finally, the CS CPs were used as a support to immobilize urease and bovine serum albumin and a stabilizer to prepare W/W emulsion, which were then adopted as a catalysis system and as a spinning solution to fabricate drug-loaded nanofiber. This strategy potentially provides a new opportunity to encapsulate the active molecules at the water-water interface, and enrich the types of usable active molecules in the encapsulation in the W/W emulsions.

Polymer-Dispersed Liquid Crystal Films on Flexible Substrates with Excellent Bending Resistance and Spacing Stability.

Polymer-dispersed liquid crystals (PDLCs) are very attractive due to their electrically switchable properties. However, current PDLC films still have problems such as high driving voltages, low contrast ratio (CR), and poor bending resistance and spacing stability. To solve these problems, a PDLC film with a system of coexisting polymer spacer columns and polymer network was proposed. First, based on the adhesive systems of IBMA and UV6301, the effects of IBMA concentration and LC content on the morphology of the polymer network and the electro-optical properties of PDLC were investigated, respectively. Then, the effects of the process conditions of mask polymerization such as temperature, time, and UV light intensity on the morphology and electro-optical properties of the polymer spacer columns were systematically investigated. It was found that PDLC films with the coexistence system exhibit both excellent electro-optical properties and outstanding bending resistance and spacing stability. Thus, it provides new practical possibilities for the preparation of high-performance PDLC films used in flexible devices.