Chemical Society Reviews最新文献

Alkali metal-ion batteries (Li⁺/Na⁺/K⁺, AMIBs) are considered ideal choices for grid-scale energy storage systems due to their high energy density and long cycle life. However, issues such as insufficient structural stability of electrode materials and limited ion transport dynamics in electrolytes severely restrict their large-scale commercial applications. Notably, high-entropy design strategies characterized by four core effects—the high-entropy effect, lattice distortion effect, sluggish diffusion effect, and cocktail effect—have demonstrated remarkable transformative potential by synergistically enhancing the structural stability and ion/electron transport kinetics of materials, thereby significantly improving the electrochemical performance of AMIBs. In this review, we focus on the four core effects of high-entropy materials in AMIBs, highlighting their roles in enhancing the performance of cathode/anode materials, electrolytes, electrode/electrolyte interfaces, and full cells. We comprehensively summarize the current research progress and delve into advanced characterization techniques for high-entropy materials. In addition, this review offers a detailed summary of rational structural design strategies and fundamental guiding principles for high-entropy materials in efficient AMIBs. We hope that this review will inspire greater interest in the development of high-entropy AMIBs and pave the way for their future commercial applications.

Dynamic nanocomposite hydrogels (DNCHs) represent a cutting-edge class of materials characterized by their tunable architecture and stimuli-responsive behavior, making them particularly well-suited for applications that require mimicking the adaptive functionality of biological systems. A wide range of chemical strategies and design methodologies have been explored to engineer their structure–property–function relationships. In this review, we present a comprehensive analysis of recent developments in DNCHs, systematically organized into six material-centric categories, including metal-, metal oxide-, carbon-, ceramic-, polymer-, and metal–organic framework (MOF)-based nanomaterials. We examine surface functionalization techniques and interfacial crosslinking mechanisms that underpin DNCH fabrication, supported by representative examples that highlight their composition, interfacial chemistry, and functional performance. We also critically evaluate current challenges and highlight key research opportunities to inform and inspire future interdisciplinary efforts. Taken together, this review presents a cohesive and forward-looking framework to support the rational design, functional implementation, and collaborative advancement of next-generation DNCHs.

Single-molecule sensors are pivotal tools for elucidating chemical and biological phenomena. Among these, quantum tunnelling sensors occupy a unique position, due to the exceptional sensitivity of tunnelling currents to sub-ångström variations in molecular structure and electronic states. This capability enables simultaneous sub-nanometre spatial resolution and sub-millisecond temporal resolution, allowing direct observation of dynamic processes that remain concealed in ensemble measurements. This review outlines the fundamental principles of electron tunnelling through molecular junctions and highlights the development of key experimental architectures, including mechanically controllable break junctions and scanning tunnelling microscopy-based approaches. Applications in characterising molecular conformation, supramolecular binding, chemical reactivity, and biomolecular function are critically examined. Furthermore, we discuss recent methodological advances in data interpretation, particularly the integration of statistical learning and machine learning techniques to enhance signal classification and improve throughput. This review highlights the transformative potential of quantum-tunnelling-based single-molecule sensors to advance our understanding of molecular-scale mechanisms and to guide the rational design of functional molecular devices and diagnostic platforms.

CO₂ is an attractive C1 building block for the construction of valuable chemicals from the standpoint of global sustainability. Recent years have witnessed the rapid development of diverse catalytic CO₂ fixations into organic compounds. Among various transformations, the synthesis of carboxylic acids with CO₂ through C–C bond formation is highly attractive due to the wide application of carboxylic acids in organic synthesis and industrial processes. The catalytic redox-neutral carboxylation of readily accessible starting materials with CO₂ leads to valuable carboxylic acids with high atom economy and selectivity. In this review, we summarize the development of redox-neutral carboxylation with CO₂ under different catalytic systems over the past two decades. The specifics are organized by the type of substrates reacting with CO₂, including catalytic carboxylation of C–X (X = Sn, B, Zn, Si) bonds, C–H bonds and unsaturated substrates. In addition, the remaining challenges and future avenues for investigation are also presented to guide continued exploration of this emerging field.

Tin-based halide perovskites are emerging as promising alternatives to traditional lead-based perovskites due to their lower bandgaps, decreased toxicity, and comparable chemical properties. These materials offer unique structural and functional benefits for optoelectronic applications and photovoltaics, particularly in their low-dimensional or layered (2D) forms. Recent advancements have improved the solar-to-electric power conversion efficiency of tin-based halide perovskites by relying on organic spacers to control crystallisation and stabilise the materials. The versatility of molecular compositions and structural tuning of layered tin halide perovskites makes them appealing for next-generation photovoltaic technologies. This review highlights the structural characteristics, synthetic methods, and properties of layered tin halide perovskites, providing a comprehensive overview and discussing future prospects for environmentally friendly perovskite photovoltaics.

The theoretical design of highly efficient, low roll-off and full-color emission organic materials is of great interest, although there are great challenges due to the limitations of the present-day methodology. In this review, we present progress achieved in our group on the theoretical and computational investigation for the structure–property relationships and screening strategy for organic fluorescent molecules, selection of thermally activated delayed fluorescence (TADF) and multi-resonance TADF (MR-TADF) molecules for optically and electrically pumped lasing application, and high-throughput virtual screening of phosphorescent organometallic complexes. We combined a quantum chemistry method with the molecular representation learning model Uni-Mol and rate theory-based molecular material property prediction package (MOMAP) developed in our group. Finally, we outline the limitation of current computational protocols and the future directions for organic luminescent materials.

In the face of intensifying market needs and mounting environmental pressures, the pharmaceutical and agrochemical sectors must revisit core aspects of process design. This review proposes a forward-looking framework for “greener-by-design” manufacturing, emphasizing the integration of sustainability from the earliest stages of synthetic planning through to industrial implementation. We focus on four interdependent levers that collectively enable this transformation: (i) solvent choice, with an emphasis on minimization, substitution, or complete elimination; (ii) substrate sourcing, favoring renewable and biomass-derived feedstocks to reduce fossil dependency; (iii) catalyst development, exploring the use of base metals, novel heterogeneous systems, and biocatalysts; and (iv) continuous-flow processing, which enhances safety, scalability, and process control. These strategies are not meant to be applied in isolation but rather in a synergistic, end-to-end manner that accounts for the full lifecycle of chemical products. By aligning synthetic efficiency with environmental responsibility, this review outlines a practical and actionable roadmap for the sustainable production of high-value fine chemicals. The convergence of synthetic chemistry with process engineering, data science, and life cycle thinking will be critical to realizing this vision, ultimately enabling more robust, circular, and future-proof manufacturing paradigms.

In this tutorial review, we introduce the reader to one of the most cited stochastic global optimization methods in chemistry, namely, particle swarm optimization (PSO). Beginning with a detailed description of the basic PSO algorithm, we explore how the algorithm has evolved over time to address increasingly complex chemical problems. The importance of the different aspects of the algorithm, its possible modifications and variants, and hybrid swarm intelligence techniques are presented as we navigate through various chemical applications of PSO reported in current literature. Overall, this review is intended to equip novices with a fundamental understanding of the PSO algorithm to intelligently approach any chemistry-based optimization problem they desire to explore using PSO.