Xu Yang , Xing Xiang , Liyuan Zhou , Jiayao Fan , Jiwen Chen , Yang Liu , Chongyang Zhou , Wei Fan , Min Han , Zonghua Pu , Bao Yu Xia
{"title":"Catalyst design strategies for highly efficient CO2 electroreduction","authors":"Xu Yang , Xing Xiang , Liyuan Zhou , Jiayao Fan , Jiwen Chen , Yang Liu , Chongyang Zhou , Wei Fan , Min Han , Zonghua Pu , Bao Yu Xia","doi":"10.1016/j.ccr.2025.216650","DOIUrl":"10.1016/j.ccr.2025.216650","url":null,"abstract":"<div><div>The massive emission of CO<sub>2</sub> has caused significant environmental problems, including global warming, disruption of carbon balance, and threats to human health. Electrocatalytic CO<sub>2</sub> reduction reaction (CO<sub>2</sub>RR) that operates under mild conditions to produce small-molecule fuels and value-added chemical products, is viewed as one of the most promising strategies for mitigating atmospheric CO<sub>2</sub> concentrations and restoring the carbon cycle equilibrium. Recent achievements in the development of high-performance electrocatalysts have promoted the practical application of CO<sub>2</sub>RR. In this review, the mechanism pathways for forming C<sub>1</sub>, C<sub>2</sub>, and C<sub>2+</sub> products, as well as the crucial parameters for evaluating CO<sub>2</sub>RR performance are introduced first. Then, the factors affecting CO<sub>2</sub>RR performance, such as electrolyzer devices and electrolytes, are also briefly discussed. Most importantly, various strategies that were developed for boosting the performance of electrocatalysts are summarized from the perspective of different products. Furthermore, the effects of these strategies on the active site and the reaction environment are discussed in detail. Finally, the future challenges and perspectives, including design of high-efficient, highly selective and robust CO<sub>2</sub>RR electrocatalysts, deeper understanding of structure-performance relationship, insights into the CO<sub>2</sub>RR mechanism, and integrating or coupling CO<sub>2</sub>RR with other reactions (<em>e.g.</em> N<sub>2</sub> or NO<sub>3</sub><sup>−</sup> or SO<sub>3</sub><sup>2‐</sup> electroreduction, biomass electrooxidation, <em>etc.</em>) or biological fermentation to produce high-value heteroatom-containing or long-chain organic compounds or improve the overall energy and economy efficiency of CO<sub>2</sub> electrolysis. This review offers valuable insights into methods for developing proper electrocatalysts to steer the reaction pathways toward CO<sub>2</sub>RR, and suggests future directions and perspectives on CO<sub>2</sub>RR field.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"536 ","pages":"Article 216650"},"PeriodicalIF":20.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143746778","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}
{"title":"Approaching through the chronicles of species with low-valent silicon and their transition metal complexes: Structure, bonding and potential catalytic applications","authors":"Sourav Singha Roy, Herbert W. Roesky","doi":"10.1016/j.ccr.2025.216657","DOIUrl":"10.1016/j.ccr.2025.216657","url":null,"abstract":"<div><div>Compounds with low-valent silicon characterized by an oxidation state lower than +IV (the most stable oxidation state for silicon) represent one of the fascinating and rapidly emerging fields of research in main-group chemistry. The primary challenge associated with the research involving compounds with low-valent silicon is their synthesis and isolation due to their high reactivity and tendency to attain the most stable oxidation state. Despite the challenges associated with compounds of low-valent silicon, their study is crucial as their unique reactivity can be explored for various catalytic transformations. In addition, compounds of low-valent silicon can serve as ligands to transition metals, which can lead to the formation of metal complexes that may have potential for catalytic applications. The review commences with the highlights of the milestone discoveries in the field of compounds with low-valent silicon. The next section of the review discusses the structure and bonding properties of different classes of compounds with low-valent silicon according to their oxidation state [+II (silylene, disilene, disilyne and silyliumylidene ion) and 0 (silylone)]. The subsequent section provides insights into different binding modes of compounds with low-valent silicon to transition metals. A detailed emphasis is given on some notable examples of transition metal complexes supported compounds with low-valent silicon as ligands, focusing on their synthesis, characterization, and potential catalytic applications.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216657"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739148","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}
Wail Al Zoubi , Yujun Sheng , Iftikhar Hussain , Heo Seongjun , Nokeun Park
{"title":"Multi-principal element nanoparticles: Synthesis strategies and machine learning prediction","authors":"Wail Al Zoubi , Yujun Sheng , Iftikhar Hussain , Heo Seongjun , Nokeun Park","doi":"10.1016/j.ccr.2025.216656","DOIUrl":"10.1016/j.ccr.2025.216656","url":null,"abstract":"<div><div>Multi-principal element nanoparticles (MPENs) are an emerging class of nano-materials with widespread applications in electrocatalysis owing to their tunable performances and high chemical stability. The extensive chemical compositional space and high surface area become even more significant at the nanoscale level. MPENs exhibit unique properties, including multi-element synergy, high configuration entropy, and long-range atomic ordering with distinct sublattices of semimetallic or metallic components. These characteristics endow MPENs with outstanding catalytic performance and chemical stability, making them promising candidates for high-entropy alloy (HEA). This review details common synthesis approaches for MPENs. The combination of experimental validation with computational preselection provide an efficient method for optimizing MPENs compositions and enhancing their properties for energy-related applications. In addition, we report on the machine-learning (ML) algorithms and review novel ML models related to atomistic simulations and atomic interactions in thermodynamic studies. We also summarize the ML models for macroscale properties, including lattice structures and phase formations. Instances phase formation through ML-derived order parameters and predictive rules is presented to demonstrate the workflow. In addition, we examine research challenges, including ML-guided opposite materials design and uncertainty quantification.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216656"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739147","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}
Qian Li , Chenhui Wang , Hongxia Yao , Chunmei He , Changfa Guo , Yong Hu
{"title":"Cocatalysts for photocatalysis: Comprehensive insight into interfacial charge transfer mechanism by energy band theory","authors":"Qian Li , Chenhui Wang , Hongxia Yao , Chunmei He , Changfa Guo , Yong Hu","doi":"10.1016/j.ccr.2025.216652","DOIUrl":"10.1016/j.ccr.2025.216652","url":null,"abstract":"<div><div>Cocatalysts have played an important role to reach high-efficiency photocatalysis with semiconductor photocatalysts. Various compositions and microstructures of inorganic and organic nanomaterials have been proposed as cocatalysts, however, consistent understanding on charge transfer mechanism at heterogenous interfaces has not been achieved yet. In this review, the existing cocatalysts are first re-sorted in terms of composition and band structure into (semi)metals, metal compounds (narrow- and wide-bandgap), nonmetals and hybrids, focusing on the underlying mechanism for charge transfer pathway at various cocatalyst–semiconductor interfaces according to energy band theory. Significantly, the polarity of Schottky contact and Ohmic contact for a semiconductor-(semi)metal heterojunction is highlighted, wherein Schottky junctions for electron transfer can be deemed as Ohmic junctions for hole transfer, and vice versa. The specific charge transfer pathway depends on the type of semiconductors, magnitude of interfacial band bending barrier, as well as that whether the metal has plasmic resonance effect. Furthermore, the function of cocatalysts (reduction- or oxidation-type) is distinguished in terms of charge transfer pathway, and consistent understanding on the roles of narrow-bandgap metal-compound cocatalysts is achieved, no matter they are deemed as semimetals or semiconductors in previous studies. Finally, the comprehensive insight into charge transfer pathways at various semiconductor-cocatalyst interfaces is obtained, which provides universal criteria to investigate carrier kinetics within heterojunction photocatalysts.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216652"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738564","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}
{"title":"Recent updates on cadmium indium sulfide (CdIn2S4 or CIS) photo-catalyst: Synthesis, enhancement strategies and applications","authors":"Shabnam Sambyal , Anita Sudhaik , Sonu Sonu , Pankaj Raizada , Vishal Chaudhary , Van-Huy Nguyen , Aftab Aslam Parwaz Khan , Chaudhery Mustansar Hussain , Pardeep Singh","doi":"10.1016/j.ccr.2025.216653","DOIUrl":"10.1016/j.ccr.2025.216653","url":null,"abstract":"<div><div>Photocatalytic technology harnesses solar energy to address the global energy crisis while offering sustainable solutions for environmental applications. Among emerging photocatalysts, Cadmium indium sulfide (CdIn<sub>2</sub>S<sub>4</sub> or CIS) stands out due to its excellent visible light absorption, optimal bandgap, non-toxicity, durability, notable catalytic efficiency, and tunable morphology, making it an appealing candidate for diverse photocatalytic applications. The intrinsic electronic, chemical, physical, and optical properties of CIS nanomaterials are highly tunable, rendering them promising candidates for diverse photocatalytic applications. However, CIS has undergone extensive modifications and optimization to attain excellent photocatalytic activity. The crystalline properties and basic photocatalytic mechanism were deliberated by density functional theory (DFT) calculations. This review provides a comprehensive insight into numerous modification techniques of CIS, including doping, surface defects, metal deposition, carbon loading and heterojunction formation, with effective activity of CIS-based heterojunction. Subsequently, the CIS-based photocatalysts for photocatalytic degradation, photocatalytic reduction of carbon dioxide, hydrogen evolution and hydrogen peroxide production applications from the previous five years will be examined and concluded with an eye toward the future. This review offers an in-depth and critical analysis of these aspects, demonstrating a perspective not previously presented.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216653"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Advances in copper-based electrocatalysts for electrochemical reduction of CO2 to ethanol: Operando, theoretical, and empirical perspectives","authors":"Sakshi , Pankaj Kumar , Suraj Prakash Singh Rana , Abdulaziz A.M. Abahussain , Lakhveer Singh","doi":"10.1016/j.ccr.2025.216672","DOIUrl":"10.1016/j.ccr.2025.216672","url":null,"abstract":"<div><div>One of the most effective methods for achieving carbon neutrality is the Electrochemical Carbon Dioxide Reduction Reaction (CO<sub>2</sub>RR). The conversion of CO<sub>2</sub> to ethanol using the electrochemical method is quite challenging primarily due to the numerous electron and proton transfers (EPT) required for the C<img>C bond formation process. Currently, copper-based electrocatalysts are widely preferred for CO<sub>2</sub>RR ought to their ability to address the primary challenge of EPT in electrochemical cells. In this review, we examine the recent advancements in the field of Cu-based electrocatalysts for electrochemical CO<sub>2</sub>RR to produce ethanol. Herein, we discuss how the morphologies and defects of the Cu catalytic surface impact the activity and selectivity of ethanol. Subsequently, we explore different spectroscopic methods, computations utilizing Density Functional Theory (DFT), and the implementation of Machine Learning (ML) algorithms. This aids to a better understanding of the insights of the mechanism of the Cu-based electrocatalysts for the ethanol production. Finally, we delve into the empirical studies, particularly, the categories of electrocatalysts that exhibit measurable Faradic Efficiency (F.E.) of ethanol. Overall, this review highlights the critical importance of integrating the theoretical, and experimental approaches for effective and selective ethanol conversion.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216672"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748175","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}
{"title":"Recent progress and advancement on zinc-based materials for water splitting: Structure-property-performance correlation","authors":"Baghendra Singh, Apparao Draksharapu","doi":"10.1016/j.ccr.2025.216647","DOIUrl":"10.1016/j.ccr.2025.216647","url":null,"abstract":"<div><div>The ongoing energy upheaval and atmospheric pollution are among the most pressing challenges facing society today. To address these issues, the establishment of effective methods for electrochemical energy conversion offers a promising path forward. Recently, Zn-based materials have attracted a lot of interest as possible solutions in this field. Their appeal relies upon their precisely modified structural and electronic features, three-dimensional architectures, extensive surface areas, numerous active sites, robust stability, and enhanced mass transport and diffusion characteristics. They are very well suited for use in energy conversion and storage because of these characteristics. Several papers have been published over the past few years, which are investigating the potential of Zn-based materials in various techniques for energy conversion. However, no comprehensive review is available, that systematically discusses the Zn-based materials for energy conversion. This review offers a thorough examination of the advancements in Zn-derivatives for applications in key energy conversion processes, including hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) involving electrochemical, photoelectrochemical, and photocatalytic water splitting. The review delves into the electrical as well as structure-related features, and performance of Zn-based materials, highlighting the role of modulating structural, morphological, and electronic properties in enhancing catalytic activity. Furthermore, the structure-property-performance relationship has been discussed in the context of improving activity, stability, and overall efficiency in water-splitting applications. The review addresses the challenges and possible directions for the industry going ahead while highlighting the potential of zinc-based materials to support the invention of environmentally conscious water-splitting technology.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216647"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738566","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}
Shouhao Wei , Mohamed K. Albolkany , Li Zhao , Bo Liu
{"title":"Supramolecular chemistry for carbon dioxide capture","authors":"Shouhao Wei , Mohamed K. Albolkany , Li Zhao , Bo Liu","doi":"10.1016/j.ccr.2025.216655","DOIUrl":"10.1016/j.ccr.2025.216655","url":null,"abstract":"<div><div>The ever-increasing global warming and environmental deterioration call for carbon emission reduction, however current carbon capture technologies are not fairly efficient to come into effect, considering their high energy-consumption and economic-cost. This review renews supramolecular chemistry for carbon dioxide capture, in which specific supramolecular chemical interaction between absorbent host and carbon dioxide guest guarantees the high selectivity and low binding energy of non-chemical bonds. Supramolecular interactions enable easy carbon dioxide release and absorbent regeneration for cycling. This review is outlined starting with introducing the background of carbon capture, utilization and storage (CCUS). In this context, we are discussing the difficulties faced in emission reduction, particularly due to the high energy demands and economic costs of extracting carbon dioxide (CO<sub>2</sub>) from flue gas. Afterwards, the fundamentals and mechanism of supramolecular chemistry are presented followed by discussing the advantages and limitations of CO<sub>2</sub> hydrates as the first generation of supramolecular chemical CO<sub>2</sub> capture materials. The typical supramolecular materials, including calixarenes, pillararenes etc., are demonstrated while discussing the CO<sub>2</sub> diffusion behaviors in the supramolecules lattice for capture. Newly developed the third-generation supramolecular hydrogen-bond ionic framework (HIF) materials are introduced and elaborated. Using HIF materials, the reversible CO<sub>2</sub> capture and release could be achieved at mild conditions, and thus shows great promise for practical CO<sub>2</sub> capture from flue gas in industry. At the end of review, we discuss the potential industrial applications of supramolecular chemistry for carbon capture, proposing HIF materials with their tunable structures as a promising candidate for improving CO<sub>2</sub> capture efficiency aiming to relief both energy consumption and economic cost burdens.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216655"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738565","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}
Yu Chen , Zongkang Guo , Jing Li , Kemin Wang , Jin Huang
{"title":"Smart nucleic acid nanodrug delivery system for precision therapeutics","authors":"Yu Chen , Zongkang Guo , Jing Li , Kemin Wang , Jin Huang","doi":"10.1016/j.ccr.2025.216673","DOIUrl":"10.1016/j.ccr.2025.216673","url":null,"abstract":"<div><div>Nucleic acid nano carriers, characterized by programmability, degradability, and high biosafety, have found widespread applications across various fields. With the rapid advancement of nanotechnology, smart nucleic acid nanodrug delivery systems (NDDSs) have demonstrated significant potential for precise and safe therapy. This review summarizes the latest advancements in smart nucleic acid NDDSs, adopting a bottom-up approach. First, we summarize the fundamental functional nucleic acid units essential for realizing smart NDDSs, considering targeting, responsiveness, and therapeutic potential. These units are strategically incorporated into nanocarriers to develop functionally sophisticated smart NDDSs. Accordingly, we outline several construction strategies for self-assembled nanocarriers, such as Y(X)-shaped monomer self-assembly, rolling circle amplification (RCA), hybridization chain reaction (HCR), DNA origami, DNA polyhedron and hybrid assembly. Furthermore, we explore the diverse applications of smart NDDSs in drug delivery, encompassing small molecule drugs, nucleic acid drugs, protein drugs, and co-delivery systems. Finally, we discuss the challenges of clinical translation of smart nucleic acid NDDSs and future research directions. This review aims to deepen researchers' understanding of the design, construction, and potential applications of these systems, thereby advancing their clinical development and enhancing their effectiveness in precision medicine.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216673"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738568","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}
{"title":"Metal complexes containing (cycloN5)− anion: History, modernity and development prospects","authors":"Oleg V. Mikhailov","doi":"10.1016/j.ccr.2025.216671","DOIUrl":"10.1016/j.ccr.2025.216671","url":null,"abstract":"<div><div>The known literature data concerning the structure and physicochemical characteristics of specific coordination compounds containing some <em>s</em>-, <em>p</em>-, <em>d</em>- or <em>f</em>-element ion and pentaazacyclopentadienyl [PACP, (cycloN<sub>5</sub>)<sup>−</sup>] anion, have been systematized and summarized. The fundamental possibility of practical using these compounds in the present and future is also discussed. The review mainly presents articles published over the past 10–15 years.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"535 ","pages":"Article 216671"},"PeriodicalIF":20.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748585","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}