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Current Opinion in Electrochemistry最新文献

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Atomistic simulations of heterogeneous electrocatalysis at the center of sustainable carbon feedstocks
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-14 DOI: 10.1016/j.coelec.2025.101671
Stefan Ringe , Gabriele Raabe
{"title":"Atomistic simulations of heterogeneous electrocatalysis at the center of sustainable carbon feedstocks","authors":"Stefan Ringe ,&nbsp;Gabriele Raabe","doi":"10.1016/j.coelec.2025.101671","DOIUrl":"10.1016/j.coelec.2025.101671","url":null,"abstract":"<div><div>In the face of global warming, the electrochemical valorization of sustainable carbon feedstocks has a high potential to advance green chemistry and promote environmentally friendly practices. Computational simulations have become indispensable in shedding light on specific aspects of electrocatalytic processes. Modern techniques incorporate the effects of the electric double layer, enhancing their ability to model realistic systems. This review provides an overview and critical discussion of the latest developments. Density functional theory remains the preferred method for studying electrode reactions and interfacial effects on stationary or short-time scales. In contrast, force field-based methods excel at providing a full statistical sampling of solid–liquid interfaces. Machine learning techniques represent a critical step toward desirable multi-purpose, multi-scale methods that deliver high accuracy and coupling across multiple time and length scales.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"51 ","pages":"Article 101671"},"PeriodicalIF":7.9,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644151","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
Prospects of using high entropy oxides as catalysts for the oxygen evolution reaction
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-13 DOI: 10.1016/j.coelec.2025.101670
Katrine Louise Svane
{"title":"Prospects of using high entropy oxides as catalysts for the oxygen evolution reaction","authors":"Katrine Louise Svane","doi":"10.1016/j.coelec.2025.101670","DOIUrl":"10.1016/j.coelec.2025.101670","url":null,"abstract":"<div><div>High entropy oxides (HEOs), containing five or more different metal atoms in addition to oxygen, present a large composition space with rich opportunity to optimise the material properties towards specific applications. Here, the potential of HEOs as electrocatalysts for the oxygen evolution reaction is reviewed. Using rutile oxides as an example, it is demonstrated how the balance between different reaction pathways can be modified by alloying, affecting both activity and stability. Furthermore, alloying leads to changes in the electronic structure, including changes in conductivity and charge transfer between elements. For rutile oxides, the charge transfer improves the activity of the less active elements; however, it correlates with a favourable enthalpy of mixing that may hamper the formation of a randomly ordered crystal. Although these insights may be used to narrow the field of candidate materials, the complementary development of experimental and theoretical models capable of identifying relevant compositions remains important.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"51 ","pages":"Article 101670"},"PeriodicalIF":7.9,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143547825","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
Grand canonical view on electrochemical energetics at applied potential in a nutshell
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-07 DOI: 10.1016/j.coelec.2025.101656
Nicolas G. Hörmann
{"title":"Grand canonical view on electrochemical energetics at applied potential in a nutshell","authors":"Nicolas G. Hörmann","doi":"10.1016/j.coelec.2025.101656","DOIUrl":"10.1016/j.coelec.2025.101656","url":null,"abstract":"<div><div>In this review, I summarize the foundations and motivation of modern grand canonical descriptions of electrified interfaces, which represent a thermodynamically consistent framework for assessing electronically adiabatic energetics and kinetics as a function of the applied electrode potential. The discussion will center around the ubiquitous coupled proton-electron transfer process at electrified metal-water interfaces and highlight the conceptual differences to the classical understanding and viewpoint. Finally, I present a range of important recent insights about the energetics of protons along their (adiabatic) adsorption path.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"51 ","pages":"Article 101656"},"PeriodicalIF":7.9,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143512587","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
Mass transport and heterogeneous electron transfer in high-concentration electrolytes: From conventional to two-dimensional material electrodes
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-07 DOI: 10.1016/j.coelec.2025.101667
Shuai Liu , Guilhem Pignol , Corinne Lagrost , Bingwei Mao , Philippe Hapiot , Jiawei Yan
{"title":"Mass transport and heterogeneous electron transfer in high-concentration electrolytes: From conventional to two-dimensional material electrodes","authors":"Shuai Liu ,&nbsp;Guilhem Pignol ,&nbsp;Corinne Lagrost ,&nbsp;Bingwei Mao ,&nbsp;Philippe Hapiot ,&nbsp;Jiawei Yan","doi":"10.1016/j.coelec.2025.101667","DOIUrl":"10.1016/j.coelec.2025.101667","url":null,"abstract":"<div><div>Two-dimensional materials in high-concentration electrolytes have emerged as promising candidates for studying heterogeneous electron transfer kinetics due to their diverse applications in energy storage and conversion. However, the existing theoretical frameworks and experimental techniques often fall short in accurately describing these complex systems. A comprehensive understanding of electron transfer processes at the electrode–electrolyte interface in high-concentration electrolytes is crucial for advancing our knowledge of interfacial electrochemical phenomena and refining theoretical models. This review summarizes recent efforts focusing on the heterogeneous electron transfer at the electrode–high-concentration electrolyte interfaces, particularly ionic liquids and deep eutectic solvents, and we briefly assess the limitations of existing kinetic studies and outline potential avenues with emphasizing the strengthen of scanning electrochemical microscopy in future research in this field.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"51 ","pages":"Article 101667"},"PeriodicalIF":7.9,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488445","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
Advances in CO2 reduction on bulk and two-dimensional electrocatalysts: From first principles to experimental outcomes
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-06 DOI: 10.1016/j.coelec.2025.101668
Raghavendra Rajagopalan , Shivam Chaturvedi , Neeru Chaudhary , Abhijit Gogoi , Tej S. Choksi , Ananth Govind Rajan
{"title":"Advances in CO2 reduction on bulk and two-dimensional electrocatalysts: From first principles to experimental outcomes","authors":"Raghavendra Rajagopalan ,&nbsp;Shivam Chaturvedi ,&nbsp;Neeru Chaudhary ,&nbsp;Abhijit Gogoi ,&nbsp;Tej S. Choksi ,&nbsp;Ananth Govind Rajan","doi":"10.1016/j.coelec.2025.101668","DOIUrl":"10.1016/j.coelec.2025.101668","url":null,"abstract":"<div><div>Designing catalyst materials for the electrochemical carbon dioxide reduction reaction (CO<sub>2</sub>RR) requires an understanding of the underlying thermodynamics and kinetics. In this review, we discuss the characteristics of two-dimensional (2D) and bulk materials, which distinguish their catalytic properties. We map catalyst performance in the faradaic efficiency–applied potential space for various hydrocarbons and oxygenates on these catalyst classes. We explain different approaches for modeling catalytic CO<sub>2</sub>RR, such as the computational hydrogen electrode, grand canonical (GC) potential kinetics, and GC density functional theory, with the lattermost accurately capturing potential-dependent kinetics. We review recent attempts made to break scaling relationships between intermediate adsorption energies and describe unique features found in 2D materials. Finally, we compare kinetics on both material classes using microkinetic modeling. We conclude that future studies should focus on realistic simulations of the electrode–electrolyte interface and combining the favorable properties of 2D and bulk materials to engineer high-performance CO<sub>2</sub>RR catalysts.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"51 ","pages":"Article 101668"},"PeriodicalIF":7.9,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143562950","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
Interdigitated microband electrode arrays in paired organic electrosyntheses: Sustainability and practicality 成对有机电合成中的交织微带电极阵列：可持续性和实用性
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-04 DOI: 10.1016/j.coelec.2025.101664
Tingran Liu, Taku Suzuki-Osborne, James E. Taylor, Frank Marken
{"title":"Interdigitated microband electrode arrays in paired organic electrosyntheses: Sustainability and practicality","authors":"Tingran Liu,&nbsp;Taku Suzuki-Osborne,&nbsp;James E. Taylor,&nbsp;Frank Marken","doi":"10.1016/j.coelec.2025.101664","DOIUrl":"10.1016/j.coelec.2025.101664","url":null,"abstract":"<div><div>Electrochemical synthesis is well established for production of bulk commodities such as copper, aluminium, or ethylene oxide, but electrosynthesis could play an increasingly important role also in a broader range of organic and pharmaceutical syntheses. Electrochemical transformations linked to renewable electricity offer a low-carbon low-waste alternative to traditional chemical reactions (sustainability), although more work is needed to establish processes and reactor technology for easy implementation (practicality). Here, the application of interdigitated microband array electrodes (in conjunction with computational methods) is discussed/contrasted as a tool to (i) avoid the use of added supporting electrolyte, (ii) achieve anode–cathode process pairing, and (iii) allow very simple reactor technology to be introduced compatible with existing chemical reactionware.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"50 ","pages":"Article 101664"},"PeriodicalIF":7.9,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436694","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
Editorial overview: From fundamental insights to inspiration for clean and sustainable biotechnology
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-03 DOI: 10.1016/j.coelec.2025.101669
Julea N. Butt
{"title":"Editorial overview: From fundamental insights to inspiration for clean and sustainable biotechnology","authors":"Julea N. Butt","doi":"10.1016/j.coelec.2025.101669","DOIUrl":"10.1016/j.coelec.2025.101669","url":null,"abstract":"","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"50 ","pages":"Article 101669"},"PeriodicalIF":7.9,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445345","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
Recent progress in mechanistic insights into cation effects on electrochemical CO2 reduction reactions
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-01 DOI: 10.1016/j.coelec.2024.101614
Xueping Qin, Renata Sechi, Heine Anton Hansen
{"title":"Recent progress in mechanistic insights into cation effects on electrochemical CO2 reduction reactions","authors":"Xueping Qin,&nbsp;Renata Sechi,&nbsp;Heine Anton Hansen","doi":"10.1016/j.coelec.2024.101614","DOIUrl":"10.1016/j.coelec.2024.101614","url":null,"abstract":"<div><div>The impact of cations in the local reaction environment has garnered attention as a crucial factor in tailoring the selectivity of CO<sub>2</sub> reduction, although the mechanism remains under debate. Understanding these cation effects through first-principles computations can facilitate the design of efficient reaction networks and gas diffusion layers in electrolyzers. In this minireview, the latest insights into cation effects on CO<sub>2</sub> reduction reactions are presented, covering aspects such as tuning the interfacial electric field, coordinating reaction intermediates, altering the interfacial water structure, and modulating local CO<sub>2</sub> concentration and pH. Future research directions in this area are also discussed.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"49 ","pages":"Article 101614"},"PeriodicalIF":7.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102846","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
Investigating on-chip micro- and nanodevices for engineering electrocatalysis
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-01 DOI: 10.1016/j.coelec.2024.101610
Haiyan Xiang , Jan E. Lopez , Travis Hu , Song Liu
{"title":"Investigating on-chip micro- and nanodevices for engineering electrocatalysis","authors":"Haiyan Xiang ,&nbsp;Jan E. Lopez ,&nbsp;Travis Hu ,&nbsp;Song Liu","doi":"10.1016/j.coelec.2024.101610","DOIUrl":"10.1016/j.coelec.2024.101610","url":null,"abstract":"<div><div>In order to fully utilize high-performance catalysts, thorough electrochemical research is urgently needed to obtain accurate and multi-dimensional information about electrochemical interfaces. However, traditional electrochemical methods, such Q5 as in situ dynamic monitoring, external field regulation, and single-entity electrocatalytic detection, still offer opportunities for further exploration. Notably, inspired by the recent success in nanoelectronic semiconductor devices, the emerging field of on-chip electrocatalytic microdevices has emerged as a powerful alternative platform to traditional techniques. This unique device configuration offers several advantages, including in situ electronic/electrochemical measurements and adjustable microstructure of individual catalysts, which is constantly expanded to probe electrochemical processes and obtain previously inaccessible information. This review covers recently published work on a range of electrochemical reactions, including hydrogen evolution reaction (HER), oxygen evolution reaction (OER), water splitting, carbon dioxide reduction (CO2RR), oxygen reduction reaction (ORR), and other electrochemical reactions. Finally, the review also presents some personal perspectives on the challenges in this promising area.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"49 ","pages":"Article 101610"},"PeriodicalIF":7.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098632","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
Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis
IF 7.9 2区 化学
Current Opinion in Electrochemistry Pub Date : 2025-02-01 DOI: 10.1016/j.coelec.2024.101631
Hemanth S. Pillai, Hendrik H. Heenen, Karsten Reuter, Vanessa J. Bukas
{"title":"Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis","authors":"Hemanth S. Pillai,&nbsp;Hendrik H. Heenen,&nbsp;Karsten Reuter,&nbsp;Vanessa J. Bukas","doi":"10.1016/j.coelec.2024.101631","DOIUrl":"10.1016/j.coelec.2024.101631","url":null,"abstract":"<div><div>Optimizing reaction rates in heterogeneous electrocatalysis requires a solid, fundamental understanding of the interplay between mass transport and the intrinsic reaction kinetics at the electrode surface. As these processes occur on disparate scales, however, bridging the two into a (single) comprehensive reaction model is a challenging task and active area of research. In this perspective, we give a current overview of transport-coupled kinetic models while making a distinction between those that describe the surface reaction <em>via</em> an effective phenomenological or first-principle-based kinetic model. This choice tends to be accompanied by a correspondingly more or less elaborate inclusion of mass transport. The two modeling approaches thus generally differ in the scientific questions that they aim to answer; whether focusing on elaborate transport effects and resulting design rules at the device level or more detailed mechanistic insight on a microscopic scale. We first discuss these approaches separately, including their pros and cons through notable studies in the existing literature and conclude with an outlook view on combining the value of both in future research.</div></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"49 ","pages":"Article 101631"},"PeriodicalIF":7.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102848","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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