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The Design and Application of OER Catalysts for Industrial-Oriented Purposes 工业用OER催化剂的设计与应用。
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-22 DOI: 10.1002/cssc.202502684
Yizhen Ye, Haodian Xie, Zijun Li, Huiying Wu, Jiajing Lin, Yukun Cai, Wei Shen, Pinxian Xi
{"title":"The Design and Application of OER Catalysts for Industrial-Oriented Purposes","authors":"Yizhen Ye,&nbsp;Haodian Xie,&nbsp;Zijun Li,&nbsp;Huiying Wu,&nbsp;Jiajing Lin,&nbsp;Yukun Cai,&nbsp;Wei Shen,&nbsp;Pinxian Xi","doi":"10.1002/cssc.202502684","DOIUrl":"10.1002/cssc.202502684","url":null,"abstract":"<p>The global energy crisis and environmental degradation have intensified the need for sustainable hydrogen production via water electrolysis. However, a significant gap persists between laboratory oxygen evolution reaction (OER) catalysts and industrial water electrolysis requirements. In this review, we bridged this gap by examining the rational design and synthesis of industrial-oriented OER catalysts through the lens of reaction mechanisms. We discussed the design of industrial OER catalysts, operando techniques for mechanistic insights, and the assembly of industrial-scale electrolyzers. By addressing operando insights to guide catalyst synthesis for industrial application, this work offered essential guidance for developing high-performance OER catalysts.</p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147497051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Front Cover: Polyurethane Cascade Depolymerization by a Combination of Thermal Pretreatment and Enzymatic Hydrolysis (ChemSusChem 6/2026) 前盖:热预处理和酶水解相结合的聚氨酯级联解聚(ChemSusChem 6/2026)
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-20 DOI: 10.1002/cssc.70618
Shengwei Sun, Sathiyaraj Subramaniyan, Ganapathy Ranjani, Leandro Cid Gomes, Diana Bernin, Thomas Bayer, Uwe T. Bornscheuer, Minna Hakkarainen, Per-Olof Syrén
{"title":"Front Cover: Polyurethane Cascade Depolymerization by a Combination of Thermal Pretreatment and Enzymatic Hydrolysis (ChemSusChem 6/2026)","authors":"Shengwei Sun,&nbsp;Sathiyaraj Subramaniyan,&nbsp;Ganapathy Ranjani,&nbsp;Leandro Cid Gomes,&nbsp;Diana Bernin,&nbsp;Thomas Bayer,&nbsp;Uwe T. Bornscheuer,&nbsp;Minna Hakkarainen,&nbsp;Per-Olof Syrén","doi":"10.1002/cssc.70618","DOIUrl":"https://doi.org/10.1002/cssc.70618","url":null,"abstract":"<p><b>The Front Cover</b> depicts chemoenzymatic cascade depolymerization of a polyether-polyester-polyurethane (PUR). PUR pellets were first pre-treated by heat, followed by a two-enzyme hydrolysis process in which cutinase HiC releases intermediate products that are converted into their constituent monomers by the urethanase SP2. The proof-of-concept found in the Research Article by P.-O. Syrén and co-workers (DOI: 10.1002/cssc.202502633). demonstrates the strong potential and robustness of cascade depolymerization as an environmentally friendly and sustainable strategy for PUR recycling. The cover was hand-drawn by Xueyingzi Chen and digitally coloured.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cssc.70618","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147567573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cover Feature: Improving Electrolyte Sustainability for Sodium-Ion Capacitors by Combining a Bio-Based Solvent With a Low-Fluorine Salt (ChemSusChem 6/2026) 封面特色:通过结合生物基溶剂和低氟盐来改善钠离子电容器的电解质可持续性(ChemSusChem 6/2026)
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-20 DOI: 10.1002/cssc.70617
Andrea Hainthaler, Manuel J. Pinzón, Maria Arnaiz, Rosalía Cid, Yiyue Lu, Jon Ajuria, Andrea Balducci
{"title":"Cover Feature: Improving Electrolyte Sustainability for Sodium-Ion Capacitors by Combining a Bio-Based Solvent With a Low-Fluorine Salt (ChemSusChem 6/2026)","authors":"Andrea Hainthaler,&nbsp;Manuel J. Pinzón,&nbsp;Maria Arnaiz,&nbsp;Rosalía Cid,&nbsp;Yiyue Lu,&nbsp;Jon Ajuria,&nbsp;Andrea Balducci","doi":"10.1002/cssc.70617","DOIUrl":"https://doi.org/10.1002/cssc.70617","url":null,"abstract":"<p><b>The Cover Feature</b> shows a novel electrolyte formulation for application in a dual-carbon sodium-ion capacitor. A special focus was laid on improving the sustainability of the liquid electrolyte. Therefore, a low-fluorine salt, sodium difluoro(oxalato)borate (NaDFOB), was combined with a bio-based solvent, γ-valerolactone (GVL). The novel electrolyte leads to enhanced high-rate performance compared to a reference electrolyte. More information can be found in the Research Article by A. Balducci and co-workers (DOI: 10.1002/cssc.202502493).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cssc.70617","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147567358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cover Feature: Electroreductive Divergent Hydrogenations of Alkynes to Alkenes or Alkanes (ChemSusChem 6/2026) 封面专题:炔的电还原分散加氢制烯烃或烷烃(ChemSusChem 6/2026)
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-20 DOI: 10.1002/cssc.70616
Geon Kang, Minki Jeon, Mina An, Isaac Choi
{"title":"Cover Feature: Electroreductive Divergent Hydrogenations of Alkynes to Alkenes or Alkanes (ChemSusChem 6/2026)","authors":"Geon Kang,&nbsp;Minki Jeon,&nbsp;Mina An,&nbsp;Isaac Choi","doi":"10.1002/cssc.70616","DOIUrl":"https://doi.org/10.1002/cssc.70616","url":null,"abstract":"<p><b>The Cover Feature</b> illustrates an electroreductive nickel platform as a rail system, where a central Ni “switch” directs the fate of alkynes. By tuning electrochemical conditions, the same substrate is selectively routed to alkenes through a non-NiH ECEC-type semireduction pathway or to alkanes through NiH formation. More information can be found in the Research Article by I. Choi and co-workers (DOI: 10.1002/cssc.202502632).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cssc.70616","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147567359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MoS2-Based Electrocatalysts Across Major Water-Related Energy Reactions: Advances, Challenges, and Future Prospects 基于二硫化钼的电催化剂用于与水相关的主要能量反应:进展、挑战和未来展望。
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-19 DOI: 10.1002/cssc.202502671
Merin Mary Sebastian, Zhoveta Yhobu, Alex Schechter, Nandakumar Kalarikkal
{"title":"MoS2-Based Electrocatalysts Across Major Water-Related Energy Reactions: Advances, Challenges, and Future Prospects","authors":"Merin Mary Sebastian,&nbsp;Zhoveta Yhobu,&nbsp;Alex Schechter,&nbsp;Nandakumar Kalarikkal","doi":"10.1002/cssc.202502671","DOIUrl":"10.1002/cssc.202502671","url":null,"abstract":"<p>Water electrochemical reactions have garnered increasing attention due to their central role in sustainable energy conversion. Amid the intensifying global energy crisis, the development of renewable pathways for green hydrogen production has become imperative. Numerous materials have been investigated as electrocatalysts for water splitting and fuel cell technologies, with molybdenum disulphide (<b>MoS</b><sub>2</sub>) emerging as a particularly promising candidate owing to its versatility in major aqueous electrochemical processes. This review provides an integrated perspective on recent advances in <b>MoS</b><sub><b>2</b></sub> as a multifunctional electrocatalyst for hydrogen evolution reaction, oxygen evolution reaction, oxygen reduction reaction and hydrogen oxidation reaction, the key half-reactions that govern water splitting and fuel cell systems. The kinetics of these reactions, governed by the Sabatier principle, can be optimised through careful control of proton-coupled electron transfer pathways. <b>MoS</b><sub>2</sub> has attracted significant attention not only as a non-noble catalyst but also as a robust support for constructing highly active catalytic systems. Its layered framework, tuneable electronic structure and inherent defect sites provide a versatile platform that can be engineered into efficient catalytic systems, enhancing reaction kinetics, intermediate binding and overall activity. This review examines and compares the activity of MoS<b><sub>2</sub></b>-based catalysts and summarises recent progress and challenges in their development as electrocatalysts for water-related energy applications.</p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13000686/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147479227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ethylene Glycol-Guided Enhancement of Bis(2-Hydroxyethyl) Terephthalic Acid as a Primary Product of Enzymatic Poly(Ethylene Terephthalate) Depolymerization 乙二醇引导增强酶解聚对苯二甲酸二(2-羟乙基)的初级产物。
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-19 DOI: 10.1002/cssc.202502346
Tobias S. Radmer, Thore B. Thomsen, Leon T. Krinn, Anne S. Meyer
{"title":"Ethylene Glycol-Guided Enhancement of Bis(2-Hydroxyethyl) Terephthalic Acid as a Primary Product of Enzymatic Poly(Ethylene Terephthalate) Depolymerization","authors":"Tobias S. Radmer,&nbsp;Thore B. Thomsen,&nbsp;Leon T. Krinn,&nbsp;Anne S. Meyer","doi":"10.1002/cssc.202502346","DOIUrl":"10.1002/cssc.202502346","url":null,"abstract":"<p>Recycling of enzymatically depolymerized poly(ethylene terephthalate) (PET) involves polycondensation of bis(2-hydroxy-ethyl) terephthalic acid (BHET)—a degradation product of enzymatic PET hydrolysis. The recycling process is simplified when more BHET is generated by the enzymatic reaction. Here, we report how ethylene glycol (EG) addition can maximize BHET formation using leading PET hydrolases, LCC<sub>ICCG</sub>, and PHL7. EG at any level above 2–5% vol/vol was found to decrease the steady-state enzymatic degradation rates while enhancing the relative production of BHET. For LCC<sub>ICCG</sub>, the highest measured BHET levels (product fraction approaching 0.5) were attained at EG levels of ∼27–29% and reaction temperature ∼62.5°C. EG shortened the enzymatic reaction lag-phase and lowered the lag-phase increase with PET crystallinity. EG works by perturbing the adsorption, including nonproductive adsorption, of the enzymes to the PET surface, which manifests as an apparent change in substrate affinity (increases the <sup>inv</sup><i>K</i><sub>m</sub> in interfacial kinetics modeling) and directs the enzyme more to the liquid phase.</p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13000671/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147479236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multiscale Design Concepts for High-Areal-Capacity Cathodes Toward Practical Lithium Batteries 实用锂电池高面积容量阴极的多尺度设计概念。
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-16 DOI: 10.1002/cssc.202502571
Yeongseok Kim, Sangwon Lee, Dong-Yeob Han, Soojin Park
{"title":"Multiscale Design Concepts for High-Areal-Capacity Cathodes Toward Practical Lithium Batteries","authors":"Yeongseok Kim,&nbsp;Sangwon Lee,&nbsp;Dong-Yeob Han,&nbsp;Soojin Park","doi":"10.1002/cssc.202502571","DOIUrl":"10.1002/cssc.202502571","url":null,"abstract":"<p>A promising strategy for achieving high-energy-density involves implementing high-areal-capacity cathodes, which minimize the proportion of inactive components within the battery. However, high-areal-capacity cathodes are fundamentally hindered by multiscale limitations, including microscopic issues associated with the chemo-mechanical properties of conventional binders and macroscopic constraints arising from increased tortuosity in thick electrodes. This review article explores two representative approaches to realizing high-areal-capacity cathodes. The review begins with a quantitative analysis illustrating how an increase in electrode thickness results in improved energy density. The subsequent section outlines the analytical methodologies used to diagnose the key limitations of high-areal-capacity electrodes and to verify the effectiveness of strategies developed to overcome these challenges. Building on these analytical insights, the following section discusses the critical properties required of polymer binders to address these technical issues, followed by practical examples that demonstrate successful binder designs. The review then introduces electrode architectural engineering strategies, highlighting how continuous and durable pathways can be constructed within electrodes to enhance both ionic/electronic conductivity, as well as overall structural integrity. Overall, this discussion provides a comprehensive design perspective that bridges material-level and structural-level considerations, offering general guidelines for the development of practical high-energy-density batteries enabled by high-areal-capacity electrode technology.</p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147466472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Electron-Deficient Bimetallic Oxide Electrocatalyst for High-Efficiency Ammonia Synthesis Under Ambient Conditions 环境条件下高效合成氨的缺电子双金属氧化物电催化剂。
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-16 DOI: 10.1002/cssc.202502368
Baru Debtera Bejena, Chia-Yu Chang, Endalkachew Asefa Moges, Keseven Lakshmanan, Wei-Hsiang Huang, Fikiru Temesgen Angerasa, Chemeda Barasa Guta, Habib Gemechu Edao, Kirubel Teshome Tadele, Chun-Chi Chang, Wei-Sheng Liao, Woldesenbet Bafe Dilebo, Jitprabhat Ponchai, Meng-Che Tsai, Wei-Nien Su, Bing Joe Hwang
{"title":"Electron-Deficient Bimetallic Oxide Electrocatalyst for High-Efficiency Ammonia Synthesis Under Ambient Conditions","authors":"Baru Debtera Bejena,&nbsp;Chia-Yu Chang,&nbsp;Endalkachew Asefa Moges,&nbsp;Keseven Lakshmanan,&nbsp;Wei-Hsiang Huang,&nbsp;Fikiru Temesgen Angerasa,&nbsp;Chemeda Barasa Guta,&nbsp;Habib Gemechu Edao,&nbsp;Kirubel Teshome Tadele,&nbsp;Chun-Chi Chang,&nbsp;Wei-Sheng Liao,&nbsp;Woldesenbet Bafe Dilebo,&nbsp;Jitprabhat Ponchai,&nbsp;Meng-Che Tsai,&nbsp;Wei-Nien Su,&nbsp;Bing Joe Hwang","doi":"10.1002/cssc.202502368","DOIUrl":"10.1002/cssc.202502368","url":null,"abstract":"<p>Ammonia (NH<sub>3</sub>) is an essential feedstock for fertilizers and a promising carrier for carbon-free hydrogen fuel. However, its conventional production through the energy-intensive Haber–Bosch process results in significant carbon dioxide emissions. Here, we report an eco-friendly solid-state synthesis of bismuth vanadium oxide supported on treated carbon black (Bi<sub>4</sub>V<sub>6</sub>O<sub>21</sub>@CB), denoted as BV64@CB, as an efficient electrocatalyst for the nitrogen reduction reaction (NRR). This electrocatalyst exhibits exceptional activity owing to its unique coordination environment, which effectively sustains electron deficiencies. In this system, vanadium (V<sup>5+</sup>) active sites facilitate nitrogen (N<sub>2</sub>) adsorption, while bismuth (Bi<sup>3+</sup>) promotes the hydrogenation of adsorbed N<sub>2</sub>, leading to the formation of <sup>*</sup>NNH intermediates on the BV64@CB surface. The cooperation between vanadium and bismuth enhances NRR efficiency, thereby promoting NH<sub>3</sub> synthesis via the distal associative pathway. These mechanistic insights are supported by in situ X-ray absorption spectroscopy and Raman analyses. The BV64@CB electrocatalyst exhibits an impressive average NH<sub>3</sub> yield rate of 370.1 μg h<sup>−1</sup> mg<sub>cat</sub><sup>−1</sup> and a Faradaic efficiency of 90.94% at −0.4 V versus the reversible hydrogen electrode in a 0.2 M Li<sub>2</sub>SO<sub>4</sub> electrolyte (pH 5). This performance surpasses that of other bimetallic oxide electrocatalysts, underscoring its potential as an efficient and sustainable candidate for NH<sub>3</sub> synthesis.</p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12991961/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147466419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Stereoselective Bio-Organocatalytic Cascade to Chiral Amides as Active Pharmaceutical Ingredient Intermediates Using ω-Transaminase and Choline Chloride Under Microwave Irradiation 微波辐射下利用ω-转氨酶和氯化胆碱立体选择性生物有机催化级联合成手性酰胺作为活性药物成分中间体。
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-15 DOI: 10.1002/cssc.202501501
Salvatore Romano, Matteo Damian, Monica Nardi, Antonio Procopio, Sebastian Strähler, Daniël Preschel, Manuela Oliverio, Francesco G. Mutti
{"title":"Stereoselective Bio-Organocatalytic Cascade to Chiral Amides as Active Pharmaceutical Ingredient Intermediates Using ω-Transaminase and Choline Chloride Under Microwave Irradiation","authors":"Salvatore Romano,&nbsp;Matteo Damian,&nbsp;Monica Nardi,&nbsp;Antonio Procopio,&nbsp;Sebastian Strähler,&nbsp;Daniël Preschel,&nbsp;Manuela Oliverio,&nbsp;Francesco G. Mutti","doi":"10.1002/cssc.202501501","DOIUrl":"10.1002/cssc.202501501","url":null,"abstract":"<p>Amide bond formation is a key transformation in organic synthesis, especially for the preparation of active pharmaceutical ingredients (APIs). In this work, we report the development of a bio-organocatalytic cascade, combining stereoselective transamination catalyzed by <i>ω</i>-transaminases (<i>ω</i>-TAs) in neat organic solvent and choline chloride (ChCl)-mediated direct amidation. This strategy enables the synthesis of chiral amides from prochiral carbonyl compounds and carboxylic acids under solvent-free microwave conditions. After optimizing the biocatalytic transamination in MTBE, we applied the method to the synthesis of key intermediates of Racecadotril and AVR-48, achieving full conversions and enantiomeric excess above 99%. The amidation step, promoted by ChCl without traditional activating agents, proved highly efficient for a wide range of aliphatic and aromatic carboxylic acids, affording the target amides in 60%–86% yields. Solvent evaporation after the transamination step was essential to remove interfering byproducts such as acetone, thus improving amidation yields. Overall, this integrated methodology provides a green, efficient, and scalable route to access amide-based building blocks in high optical purity, opening new avenues for sustainable pharmaceutical manufacturing.</p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12989220/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147462355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unraveling Charging and Discharging Processes in Organic Radical-Based Electrodes: A Hierarchical Molecular and Quantum Mechanical Approach 揭示有机基电极的充放电过程:一种分层分子和量子力学方法。
IF 6.6 2区 化学
ChemSusChem Pub Date : 2026-03-15 DOI: 10.1002/cssc.202502645
Clara Zens, Georgina E. Shillito, Christian Friebe, Stephan Kupfer
{"title":"Unraveling Charging and Discharging Processes in Organic Radical-Based Electrodes: A Hierarchical Molecular and Quantum Mechanical Approach","authors":"Clara Zens,&nbsp;Georgina E. Shillito,&nbsp;Christian Friebe,&nbsp;Stephan Kupfer","doi":"10.1002/cssc.202502645","DOIUrl":"10.1002/cssc.202502645","url":null,"abstract":"<p>Organic batteries represent a promising class of energy storage materials, due to their mechanical flexibility and sustainability. Typically, stable radicals, lacking intrinsic conductivity, are utilized as redox-active materials. A recently introduced strategy to overcome this shortcoming is to incorporate stable radicals, i.e., (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO), into a polythiophene backbone. Thereby, an electrode material was obtained which does not require conductive additives. The current computational study aims to elucidate the functionality of this material by drawing in-depth structure–property relationships utilizing a hierarchical molecular and quantum mechanical approach. Initially, structural properties of the electrode material's macroenvironment—containing the functionalized polythiophene, electrolyte, and solvent—were assessed in various charging states by molecular dynamics simulations. Subsequently, electronic properties were investigated by time-dependent density functional theory for 564 microenvironments. Via this computational setup, the electronic communication within the material was assessed along intrastrand and interstrand CT processes involving the respective TEMPO and polythiophene units. Thereby, our hierarchical computational approach reveals that the intrinsic conductivity and charge storage capacity of the electrode material stems from efficient intrastrand TEMPO-polythiophene CT processes along short and rigid amid linkers. These insights help to tailor improved conductive organic electrode materials with higher charging and discharging rate capabilities.</p>","PeriodicalId":149,"journal":{"name":"ChemSusChem","volume":"19 6","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12989221/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147462376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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