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From halide perovskite nanocrystals to supercrystals: fundamentals and applications. 从卤化物钙钛矿纳米晶体到超晶体:基本原理和应用。
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-26 DOI: 10.1039/d5cs00937e
S L Aneesha,Yifei Xia,Takuya Okamoto,Deepika Gaur,Sudipta Seth,Johan Hofkens,Lakshminarayana Polavarapu,Vasudevanpillai Biju
{"title":"From halide perovskite nanocrystals to supercrystals: fundamentals and applications.","authors":"S L Aneesha,Yifei Xia,Takuya Okamoto,Deepika Gaur,Sudipta Seth,Johan Hofkens,Lakshminarayana Polavarapu,Vasudevanpillai Biju","doi":"10.1039/d5cs00937e","DOIUrl":"https://doi.org/10.1039/d5cs00937e","url":null,"abstract":"Halide perovskite supercrystals, also known as superlattices, are electronically coupled low-dimensional materials, such as nanocrystals, quantum dots, or nanoplatelets that offer collective optical and electronic properties distinct from those of their constituents. The intrinsic dielectric properties and defect tolerance of halide perovskites make their supercrystals superior to metal chalcogenide supercrystals. The physicochemical properties of ligands and the shape and size uniformity of the constituents determine the overall size, shape, and electronic and optical properties of these supercrystals, where excitons interact across long distances through phase coherence and dipole coupling, inducing enhanced and narrow-band emission, including superfluorescence, superradiance, amplified spontaneous emission, and lasing. These emergent optical and electronic properties make halide perovskite supercrystals promising for brilliant LEDs, low-threshold lasers, high-efficiency solar cells, and broadband photodetectors. This article provides a state-of-the-art overview of halide perovskite supercrystals, addressing the critical gap between their structure-property relationship and linking the fundamental mechanism of electronic coupling with their emergent optoelectronic properties.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"42 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Defining, designing and determining the structure of supramolecular frameworks. 定义、设计和确定超分子框架的结构。
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-26 DOI: 10.1039/d5cs00550g
Nicholas G White,C Michael McGuirk
{"title":"Defining, designing and determining the structure of supramolecular frameworks.","authors":"Nicholas G White,C Michael McGuirk","doi":"10.1039/d5cs00550g","DOIUrl":"https://doi.org/10.1039/d5cs00550g","url":null,"abstract":"Supramolecular frameworks, ordered porous networks assembled by noncovalent interactions, are a broad class of functional materials with emergent combinations of properties arising from the relatively weak interactions used to assemble them. However, the coherent advancement of the field is challenged by the abundance of different names and acronyms used for very similar structures and the varying degrees of rigour met during the characterisation of these materials. This has led to considerable confusion, particularly for those new to the field, which can lead to important early work being overlooked and stagnation of progress. In this Tutorial Review, we provide a brief introduction to the field, suggest a coherent naming system for these materials, and rigorous standards for their characterisation. We finish by discussing design principles that can be used to increase the chances of obtaining supramolecular frameworks with desired structures and properties.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"100 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimizing CO2 electroreduction: theoretical insights for enhancing efficiency across elementary steps 优化二氧化碳电还原:提高基本步骤效率的理论见解
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-25 DOI: 10.1039/d5cs00780a
Hengan Wang, Xinchen Kang, Buxing Han
{"title":"Optimizing CO2 electroreduction: theoretical insights for enhancing efficiency across elementary steps","authors":"Hengan Wang, Xinchen Kang, Buxing Han","doi":"10.1039/d5cs00780a","DOIUrl":"https://doi.org/10.1039/d5cs00780a","url":null,"abstract":"The electrochemical CO<small><sub>2</sub></small> reduction reaction (CO<small><sub>2</sub></small>RR) can convert CO<small><sub>2</sub></small> emissions into valuable fuels and chemicals, offering a promising pathway to close the carbon cycle. However, existing CO<small><sub>2</sub></small>RR systems face challenges in holistically optimizing interdependent elementary processes, such as adsorption, electron–proton transfer, and mass transport, resulting in unavoidable trade-offs between selectivity, activity, and stability. To address these limitations, a thorough analysis of these elementary steps is essential, supported by theoretical frameworks to guide the design of electrocatalytic systems. By systematically optimizing each process, CO<small><sub>2</sub></small>RR performance can be significantly enhanced. This review provides a comprehensive overview of the theories and applications governing elementary steps in CO<small><sub>2</sub></small>RR systems for fine-tuning both catalysts and their near-catalyst environments. The deactivation mechanisms of electrocatalysts are discussed, along with strategies to enhance their stability. Furthermore, alternative anodic reactions that enhance the energy efficiency of the associated system are outlined, along with experimental methodologies for investigating CO<small><sub>2</sub></small>RR mechanisms. Finally, the review critically assesses the challenges and future prospects in CO<small><sub>2</sub></small>RR research. Through this in-depth analysis, the review advances the understanding of key theoretical principles and their practical applications in CO<small><sub>2</sub></small>RR, offering valuable insights for the design and industrial implementation of electrocatalytic CO<small><sub>2</sub></small>RR systems.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"28 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145133546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Emerging inorganic-organic hybrid photocatalysts for solar-driven overall water splitting: progress and perspectives. 太阳能驱动整体水分解的新型无机-有机杂化光催化剂:进展与展望。
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-24 DOI: 10.1039/d5cs00378d
De-Shan Zhang,Lei Wang,Xiaodong Zhang,Xu-Bing Li,Hangxun Xu,Chen-Ho Tung,Li-Zhu Wu
{"title":"Emerging inorganic-organic hybrid photocatalysts for solar-driven overall water splitting: progress and perspectives.","authors":"De-Shan Zhang,Lei Wang,Xiaodong Zhang,Xu-Bing Li,Hangxun Xu,Chen-Ho Tung,Li-Zhu Wu","doi":"10.1039/d5cs00378d","DOIUrl":"https://doi.org/10.1039/d5cs00378d","url":null,"abstract":"The pursuit of sustainable energy technologies has long inspired the development of efficient photocatalysts capable of converting solar energy into hydrogen (H2) via overall water (H2O) splitting. While inorganic semiconductors, such as metal oxides, oxynitrides, and oxysulfides, have demonstrated reasonable activity and robustness, their intrinsic limitations in light harvesting and charge separation continue to hinder their photocatalytic performance. Conversely, organic semiconductors offer compelling advantages, including tunable electronic structures, visible-light absorption, and synthetic versatility. However, their application in overall H2O splitting remains constrained by short exciton diffusion lengths, low carrier mobility, and poor activity in multi-electron processes. Recently, integrating organic and inorganic materials into hybrid photocatalysts has emerged as a powerful strategy to overcome these bottlenecks. By synergistically combining the efficient charge transport of inorganic frameworks with the structural adaptability and optoelectronic tunability of organic materials, rationally designed hybrid systems have shown remarkable potential in enhancing light utilization, facilitating exciton dissociation, and suppressing recombination. These advances not only improve overall H2O splitting efficiency but also open new avenues for photocatalyst design. This review critically examines the fundamental principles, interfacial interactions, and photophysical mechanisms underpinning inorganic-organic hybrid photocatalysts for solar-driven overall H2O splitting. We highlight recent breakthroughs, analyse the remaining scientific and engineering challenges, and propose strategic directions for next-generation hybrid systems with improved scalability, efficiency, and durability. Our goal is to establish a forward-looking roadmap that defines the role of hybrid photocatalysts as a transformative platform in achieving a sustainable, carbon-neutral society.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"90 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145127114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Smart batteries: materials, monitoring, and artificial intelligence. 智能电池:材料、监控和人工智能。
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-24 DOI: 10.1039/d5cs00609k
Nan Zhang,Tianyi Hou,Gaoce Han,Yifei Yu,Henghui Xu,Yunhui Huang
{"title":"Smart batteries: materials, monitoring, and artificial intelligence.","authors":"Nan Zhang,Tianyi Hou,Gaoce Han,Yifei Yu,Henghui Xu,Yunhui Huang","doi":"10.1039/d5cs00609k","DOIUrl":"https://doi.org/10.1039/d5cs00609k","url":null,"abstract":"Addressing critical limitations of conventional lithium-ion batteries, including resource scarcity, safety risks, and environmental concerns, the advent of smart batteries represents a transformative leap in energy storage. This comprehensive review highlights their defining characteristics of stability, safety, sustainability, and sensibility (4S) by synergistically integrating responsive materials, high-precision sensing, and artificial intelligence (AI)-driven management. We critically examine recent breakthroughs in responsive materials capable of self-protection, self-healing, self-adaptation, self-adjusting, self-diagnosis, and self-charging across all battery components, including electrolytes, separators, electrodes, binders, and current collectors. Furthermore, we detail state-of-the-art sensing techniques for real-time safety monitoring and advanced AI algorithms for predictive lifetime management, offering unprecedented control over battery performance and safety. Finally, this review delineates critical challenges and outlines interdisciplinary future research directions, bridging materials science, advanced diagnostics, and predictive analytics. By enabling enhanced performance, safety, and environmental compatibility, smart batteries are poised to revolutionize energy storage technologies globally, driving sustainable energy transitions and unlocking new paradigms for intelligent power systems.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"16 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145127115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Single-crystal perovskites for photovoltaic and high-energy detection applications. 用于光伏和高能探测的单晶钙钛矿。
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-24 DOI: 10.1039/d5cs00625b
Bingyao Shao,Xin Song,Hongwei Zhu,Youcef A Bioud,Wentao Wu,Mutalifu Abulikemu,Hamad Saiari,Sarah Aqeel,Issam Gereige,Omar F Mohammed,Osman M Bakr
{"title":"Single-crystal perovskites for photovoltaic and high-energy detection applications.","authors":"Bingyao Shao,Xin Song,Hongwei Zhu,Youcef A Bioud,Wentao Wu,Mutalifu Abulikemu,Hamad Saiari,Sarah Aqeel,Issam Gereige,Omar F Mohammed,Osman M Bakr","doi":"10.1039/d5cs00625b","DOIUrl":"https://doi.org/10.1039/d5cs00625b","url":null,"abstract":"Metal halide perovskites have garnered widespread attention for optoelectronic applications, owing to their high optical absorption coefficients, tunable bandgaps, long carrier diffusion lengths, and high carrier mobilities. Their compatibility with simple, low-temperature processing methods further establishes them as promising next-generation semiconductors. However, the numerous defects present in the bulk and at the interfaces of polycrystalline perovskites lead to poor stability, hindering their commercialization. In contrast, single-crystal (SC) perovskites contain far fewer defects and thus exhibit inherently superior stability and optoelectronic properties, making them a promising platform for developing advanced perovskite-based devices. This review provides a comprehensive analysis of the advantages of SC perovskites, evaluates the merits and limitations of various crystal growth methods, and highlights their use in photovoltaics and high-energy radiation detection. Finally, we discuss the challenges that hinder the practical implementation of SC perovskites and propose strategies to facilitate their large-scale commercialization.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"86 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145127116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The influence of C–F⋯H–X hydrogen-bonding interactions on the reactivity and selectivity of organic reactions C-F⋯H-X氢键相互作用对有机反应活性和选择性的影响
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-23 DOI: 10.1039/d4cs01269k
Pengwei Xu, Xin Wang, Tao Wang, Zhong-Yan Cao, Jin-Sheng Yu, Jian Zhou
{"title":"The influence of C–F⋯H–X hydrogen-bonding interactions on the reactivity and selectivity of organic reactions","authors":"Pengwei Xu, Xin Wang, Tao Wang, Zhong-Yan Cao, Jin-Sheng Yu, Jian Zhou","doi":"10.1039/d4cs01269k","DOIUrl":"https://doi.org/10.1039/d4cs01269k","url":null,"abstract":"Hydrogen-bonding interactions are ubiquitous in biological and chemical systems. Nevertheless, whether fluorine bonded to carbon (C–F bond) can act as a hydrogen bond (H-bond) acceptor has been debated for decades. Evidence accumulated to date supports the existence of C–F⋯H–X interactions, and uncovering such non-classical interactions can greatly influence the reactivity and selectivity of organic reactions. Notably, the focus has shifted from applying such interactions to explaining the observed fluorine effects of organic reactions, to harness it for rational design of new reagents and catalysts for precise synthesis. This review will summarize the advances in understanding the impact of C–F⋯H–X interactions on organic reactions, and cast light on its future applications in organic synthesis.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"40 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Closing the loop in next-generation sensing through shadow sphere lithography, plasmonics, and artificial intelligence 通过影球光刻、等离子体和人工智能实现下一代传感闭环
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-23 DOI: 10.1039/d5cs00345h
Mingyu Cheng, Xinyi Chen, Jinglan Zhang, Xu Ye, Bin Ai
{"title":"Closing the loop in next-generation sensing through shadow sphere lithography, plasmonics, and artificial intelligence","authors":"Mingyu Cheng, Xinyi Chen, Jinglan Zhang, Xu Ye, Bin Ai","doi":"10.1039/d5cs00345h","DOIUrl":"https://doi.org/10.1039/d5cs00345h","url":null,"abstract":"The rapid deployment of intelligent energy, health-care and manufacturing platforms is outpacing the capabilities of conventional transducers, demanding sub-percent accuracy, millisecond responses, long-term stabilities and wafer-scale integration. Plasmonic micro- and nano-optical sensors can, in principle, satisfy these metrics, but only if three historically separate research threads converge: (i) physics-guided nanostructure design that realises high-Q hybrid resonances; (ii) fabrication routes that translate these blueprints into low-cost, large-area devices; and (iii) data-centric signal processing and prediction that extracts reliable information from inherently weak, drift-prone optical read-outs. This review (mainly covering the years 2019–2024) provides the first end-to-end account of that convergence. We highlight shadow-sphere lithography (SSL) as a scalable, sub-50 nm patterning strategy; map the resulting structural library onto its plasmonic, lattice and bound-state resonances; and show how physics-aware artificial-intelligence (AI) pipelines denoise spectra, compensate batch variability, enhance the prediction, and even invert the design problem. We close by outlining a closed-loop roadmap—linking SSL, plasmonics, and AI analytics—that targets high refractive-index resolutions within millimetre footprints, while identifying open challenges in wafer-scale 3D patterning inverse design and automated self-assembly, to in-line quality grading, to adaptive signal interpretation.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"89 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145116793","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photoactivated nanovaccines 用光催化纳米疫苗
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-22 DOI: 10.1039/d5cs00608b
Qihang Ding, Siyu Chen, Siwei Hua, Jiyoung Yoo, Changyu Yoon, Zhiqiang Li, Engui Zhao, Jong Seung Kim, Meijia Gu
{"title":"Photoactivated nanovaccines","authors":"Qihang Ding, Siyu Chen, Siwei Hua, Jiyoung Yoo, Changyu Yoon, Zhiqiang Li, Engui Zhao, Jong Seung Kim, Meijia Gu","doi":"10.1039/d5cs00608b","DOIUrl":"https://doi.org/10.1039/d5cs00608b","url":null,"abstract":"Photoactivated nanovaccines represent a groundbreaking approach in cancer immunotherapy and infectious disease prevention, leveraging the precise spatiotemporal control of light-responsive nanomaterials to enhance antigen presentation and immune activation. Recent breakthroughs in key components, including adjuvants, nanocarriers, and photosensitizers (PSs), have significantly enhanced the efficacy of photoactivated nanovaccines in tumor immunotherapy and infectious disease control. The integration of stimuli-responsive carriers enables precise control over vaccine release, minimizing off-target effects. Moreover, the integration of photodynamic therapy (PDT) or photothermal therapy (PTT) with nanovaccines enables these systems to induce immunogenic cell death (ICD), modulate the immunosuppressive tumor microenvironment (ITME), and elicit robust and durable antitumor immune responses. Additionally, these combinations enhance pathogen-killing efficacy and promote the generation of long-term immune memory. This review systematically discusses the principles, design strategies, and biomedical applications of photoactivated nanovaccines in oncology and infectious disease management. We further highlight emerging trends, including personalized nanovaccines and multimodal therapeutic strategies, and discuss the challenges and future directions for their clinical translation. The convergence of nanotechnology and immunotherapy paves the way for next-generation vaccines with unprecedented precision, efficacy, and safety.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"21 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145103873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Accelerating battery innovation: AI-powered molecular discovery. 加速电池创新:人工智能分子发现。
IF 46.2 1区 化学
Chemical Society Reviews Pub Date : 2025-09-22 DOI: 10.1039/d5cs00053j
Yu-Chen Gao,Xiang Chen,Yu-Hang Yuan,Yao-Peng Chen,Yi-Lin Niu,Nan Yao,Yan-Bin Gao,Wei-Lin Li,Qiang Zhang
{"title":"Accelerating battery innovation: AI-powered molecular discovery.","authors":"Yu-Chen Gao,Xiang Chen,Yu-Hang Yuan,Yao-Peng Chen,Yi-Lin Niu,Nan Yao,Yan-Bin Gao,Wei-Lin Li,Qiang Zhang","doi":"10.1039/d5cs00053j","DOIUrl":"https://doi.org/10.1039/d5cs00053j","url":null,"abstract":"The global energy transition urgently demands advanced battery technologies to address current climate challenges, where molecular engineering plays a pivotal role in optimizing performance metrics such as energy density, cycling lifespan, and safety. This review systematically examines the integration of artificial intelligence (AI) into molecular discovery for next-generation battery systems, addressing both transformative potential and sustainability challenges. Firstly, multidimensional strategies for molecular representation are delineated to establish machine-readable inputs, serving as a prerequisite for AI-driven molecular discovery (Section 2). Subsequently, AI algorithms are systematically summarized, encompassing classical machine learning, deep learning, and the emerging class of large language models (Section 3). Next, the substantial potential of AI-powered predictions for key electrochemical properties is illustrated, including redox potential, viscosity, and dielectric constant (Section 4). Through paradigmatic case studies, significant applications of AI in molecular design are elucidated, spanning chemical knowledge discovery, high-throughput virtual screening, oriented molecular generation, and high-throughput experimentation (Section 5). Finally, a general conclusion and a critical perspective on current challenges and future directions are presented, emphasizing the integration of molecular databases, algorithms, computational power, and autonomous experimental platforms. AI is expected to accelerate molecular design, thereby facilitating the development of next-generation battery systems and enabling sustainable energy innovations.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"39 1","pages":""},"PeriodicalIF":46.2,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145103581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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