Explore the vast range of titles available.

Nonmetallic co-doping and surface hole construction are simple and efficient strategies for improving the photocatalytic activity and regulating the electronic structure of g-C3N4. Here, the g-C3N4 catalysts with B-F or B-S co-doping combined with nitrogen vacancies (Nv) are designed. Compared to the pristine g-C3N4, the direction of the excited electron orbit for the B-F-co-doped system is more matching (N2pz→C2pz), facilitating the separation of electrons and holes. Simultaneously, the introduced nitrogen vacancy can further reduce the bandgap by generating impurity states, thus improving the utilization rate of visible light. The doped S atoms can also narrow the bandgap of the B-S-Nv-co-doped g-C3N4, which originates from the p-orbital hybridization between C, N, and S atoms, and the impurity states are generated by the introduction of N vacancies. The doping of B-F-Nv and B-S-Nv exhibits a better CO2 reduction activity with a reduced barrier for the rate-determining step of around 0.2 eV compared to g-C3N4. By changing F to S, the origin of the rate-determining step varies from *CO2→*COOH to *HCHO→*OCH3, which eventually leads to different products of CH3OH and CH4, respectively.

The persistence of pharmaceutical pollutants such as ciprofloxacin (CIP) in aquatic environments represents a critical environmental threat due to their potential to induce antimicrobial resistance. Photocatalysis using TiO2-based materials offers a promising solution for their mineralization; however, the limited visible-light response of TiO2 and charge carrier recombination restricts its overall efficiency. In this study, Nb-doped TiO2 nanoparticles were synthesized via the sol–gel method, incorporating Nb5+, ions into the TiO2 lattice to modulate the structural and electronic properties of TiO2 to enhance its photocatalytic performance for CIP degradation under UV and visible irradiation. Comprehensive structural, morphological, and optical analyses revealed that Nb incorporation stabilizes the anatase phase, reduces particle size (from 21.42 nm to 10.29 nm), and induces a slight band gap widening (from 2.85 to 2.87 eV) due to the Burstein–Moss effect. Despite this blue shift, Nb-TiO2 exhibited significantly improved photocatalytic activity under visible light, achieving 86% CIP degradation with a reaction rate 16 times higher than that of undoped TiO2. This enhancement was attributed to improved charge separation and higher hydroxyl radical (•OH) generation, driven by excess conduction band electrons introduced by Nb doping. Density Functional Theory (DFT) calculations further elucidated the electronic structure modifications responsible for this behavior, offering molecular-level insights into Nb dopant-induced property tuning. These findings demonstrate how targeted doping strategies can engineer multifunctional nanomaterials with superior photocatalytic efficiencies, especially under visible light, highlighting the synergy between experimental design and theoretical modeling for environmental applications.

Research into the development of efficient semiconductor photocatalytic materials is a promising approach to solving environmental and energy problems worldwide. Among these materials, TiO2 photocatalysts are one of the most commonly used due to their efficient photoactivity, high stability, low cost and environmental friendliness. However, since the UV content of sunlight is less than 5%, the development of visible light-activated TiO2-based photocatalysts is essential to increase the solar energy efficiency. Here, we review recent works on advanced visible light-activated Ti3+-self-doped TiO2 (Ti3+–TiO2) photocatalysts with improved electronic band structures for efficient charge separation. We analyze the different methods used to produce Ti3+–TiO2 photocatalysts, where Ti3+ with a high oxygen defect density can be used for energy production from visible light. We categorize advanced modifications in electronic states of Ti3+–TiO2 by improving their photocatalytic activity. Ti3+–TiO2 photocatalysts with large charge separation and low recombination of photogenerated electrons and holes can be practically applied for energy conversion and advanced oxidation processes in natural environments and deserve significant attention.

Bismuth telluride has become a widely commercially utilized thermoelectric material due to its exceptional properties. However, there remains space for further improvement in the properties of p-type Bi-Sb-Te thermoelectric materials obtained through the melting method. In this work, CsBr was employed to enhance the thermoelectric properties of Bi 0.42 Sb 1.58 Te 3 (BST) materials. The bulk materials of BST + x wt% CsBr ( x = 0, 0.10, 0.20, 0.30) were fabricated using a combination of melting method and spark plasma sintering. Cs and Br co-doping could significantly increase the electrical conductivity of BST alloy, while reducing thermal conductivity, resulting in a maximum figure of merit ( ZT ) value of 1.2 at 323 K and an average ZT value of 1.1 below 400 K for x = 0.20 sample. Density functional theory and transmission electron microscopy analyses reveal that Cs doping effectively reduces the band gap, increases the density of states near the Fermi level, and flattens the energy band, resulting in the great enhancement of electrical transport properties (with a maximum power factor of approximately 3500 µ −1 K −2 ). Furthermore, Cs doping causes Sb to dissociate from the lattice and combine with free oxygen to form nanoscale Sb 2 O 3 , which efficiently scatters mid-frequency phonons and reduces thermal conductivity while maintaining a high Seebeck coefficient. This study presents a novel approach to resolving the trade-off between electrical and thermal conductivity in thermoelectric materials by solely utilizing CsBr doping.

Lithium-ion batteries are favored by the electric vehicle (EV) industry due to their high energy density, good cycling performance and no memory. However, with the wide application of EVs, frequent thermal runaway events have become a problem that cannot be ignored. The following is a comprehensive review of the research work on thermal runaway of lithium-ion batteries. Firstly, the functions of each part of the battery and the related flame-retardant modification are summarized. The thermal properties of the battery are improved by means of coating of cathode materials and adding anion receptors. Secondly, the thermal runaway behavior and its triggering mechanism are introduced, and the decomposition reactions of common cathode materials are analyzed. Finally, the methods of thermal runaway monitoring and thermal management are summarized to provide the reference for the safety of lithium-ion batteries.

The complex structure of wood, one of the most abundant biomaterials on Earth, has been optimized over 270 million years of tree evolution. This optimization has led to the highly efficient water and nutrient transport, mechanical stability and durability of wood. The unique material structure and pronounced anisotropy of wood endows it with an array of remarkable properties, yielding opportunities for the design of functional materials. In this Review, we provide a materials and structural perspective on how wood can be redesigned via structural engineering, chemical and/or thermal modification to alter its mechanical, fluidic, ionic, optical and thermal properties. These modifications enable a diverse range of applications, including the development of high-performance structural materials, energy storage and conversion, environmental remediation, nanoionics, nanofluidics, and light and thermal management. We also highlight advanced characterization and computational-simulation approaches for understanding the structure–property–function relationships of natural and modified wood, as well as informing bio-inspired synthetic designs. In addition, we provide our perspective on the future directions of wood research and the challenges and opportunities for industrialization. The porous hierarchical structure and anisotropy of wood make it a strong candidate for the design of materials with various functions, including load bearing, multiscale mass transport, and optical and thermal management. In this Review, the composition, structure, characterization methods, modification strategies, properties and applications of natural and modified wood are discussed.

First-principles density functional calculations were performed to investigate the structural parameters, elastic moduli and related properties, electronic band structure and optical properties of three LaOAgS-type barium silver fluoride chalcogenides BaAg Ch F ( Ch denotes the chalcogenides S, Se and Te). The calculated structural parameters are in good accordance with the existing experimental data. The single-crystal and polycrystal elastic moduli were determined via the strain–stress technique. The investigated compounds show a strong anisotropic behaviour of the structural and elastic parameters. The calculated electronic band structure using the Tran–Blaha modified Becke–Johnson potential reveals that the three considered systems are large direct band gap semiconductors. The assignments of the energy band electronic states and chemical bonding character were accomplished with the help of the l -decomposed atomic densities of states diagrams. Frequency-dependent polarized optical functions were computed for an energy range from 0 eV to 30 eV. The microscopic origin of the electronic states that is responsible for the optical spectra structures were determined. The optical spectra exhibit a considerable anisotropy. Several trends in the variation of the considered physical properties with the atomic number Z of the chalcogenide Ch element in the BaAg Ch F series are observed.

Electrocatalytic N 2 reduction provides an attractive alternative to Haber-Bosch process for artificial NH 3 synthesis. The difficulty of suppressing competing proton reduction, however, largely impedes its practical use. Herein, we design a hydrophobic octadecanethiol-modified Fe 3 P nanoarrays supported on carbon paper (C18@Fe 3 P/CP) to effectively repel water, concentrate N 2 , and enhance N 2 -to-NH 3 conversion. Such catalyst achieves an NH 3 yield of 1.80 × 10 −10 mol·s −1 ·cm −2 and a high Faradaic efficiency of 11.22% in 0.1 M Na 2 SO 4 , outperforming the non-modified Fe 3 P/CP (2.16 × 10 −11 mol·s −1 ·cm −2 , 0.9%) counterpart. Significantly, C18@Fe 3 P/CP renders steady N 2 -fixing activity/selectivity in cycling test and exhibits durability for at least 25 h. First-principles calculations suggest that the surface electronic structure and chemical activity of Fe 3 P can be well tuned by the thiol modification, which facilitates N 2 electroreduction activity and catalytic formation of NH 3 .

Downsizing metal–organic framework (MOF) crystals into the nanoregime offers a promising approach to further benefit from their inherent versatile pore structures and surface reactivity. In this article, downsizing is referred to as the deliberate production of typical large MOF crystals into their nanosized versions. Here, we discuss various strategies towards the formation of crystals below 100 nm and their impact on the nano-MOF crystal properties. Strategies include an adjustment of the synthesis parameters (e.g., time, temperature, and heating rate), surface modification, ligand modulation, control of solvation during crystal growth and physical grinding methods. These approaches, which are categorized into bottom-up and top-down methods, are also critically discussed and linked to the kinetics of MOF formation as well as to the homogeneity of their size distribution and crystallinity. This collection of downsizing routes allows one to tailor features of MOFs, such as the morphology, size distribution, and pore accessibility, for a particular application. This review provides an outlook on the enhanced performance of downsized MOFs along with their potential use for both existing and novel applications in a variety of disciplines, such as medical, energy, and agricultural research.Metal-organic frameworks: Downscaling crystals for better performanceMethods for enhancing the properties of porous materials known as metal–organic frameworks (MOFs) by making the crystals smaller have been reviewed by scientists in Australia and the Philippines. MOF crystals have an open atomic structure which includes large voids. MOFs are highly crystalline materials, typically generated in powder form, useful for applications such as hydrogen storage and carbon capture. Reducing the crystal sizes to nanometer scales significantly enhances the material’s physical and chemical properties. Ken Usman, Ludovic Dumée and Joselito Razal from Deakin University, Geelong, Australia, and co-workers have reviewed the latest methods for synthesizing MOF crystals smaller than a hundred nanometers. Synthesis strategies include altering a wide range of parameters such as time, temperature and heating rate. The authors show how these different approaches allow the properties of nano-sized MOF, including morphology and size distribution, to be controlled to suit a specific application.

Due to its unique electronic structure and special size effect, two-dimensional (2D) nanomaterials have shown great potential far beyond bulk materials in the field of photocatalysis. How to deeply explore the photocatalytic mechanism of 2D nanomaterials and design more efficient 2D semiconductor photocatalysts are research hotspots. This review provides a comprehensive introduction to typical 2D nanomaterials and discusses their current application status in the field of photocatalysis. The effects of material properties such as band structure, morphology, crystal face structure, crystal structure and surface defects on the photocatalytic process are discussed. The main modification methods are highlighted, including doping, noble metal deposition, heterojunction, thickness adjustment, defect engineering, and dye sensitization in 2D material systems. Finally, the future development of 2D nanomaterials is prospected. It is hoped that this paper can provide systematic and useful information for researchers engaged in the field of photocatalysis.