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Stability Investigation on NiFeOx Electrocatalysts for Oxygen Evolution During on and off Cycles in Harsh Alkaline Conditions 碱性条件下NiFeOx析氧电催化剂开、关循环稳定性研究
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-20 DOI: 10.1002/celc.202500081
Reona Suzuki, Keisuke Obata, Yutaka Sasaki, Kiyohiro Adachi, Kazuhiro Takanabe
{"title":"Stability Investigation on NiFeOx Electrocatalysts for Oxygen Evolution During on and off Cycles in Harsh Alkaline Conditions","authors":"Reona Suzuki,&nbsp;Keisuke Obata,&nbsp;Yutaka Sasaki,&nbsp;Kiyohiro Adachi,&nbsp;Kazuhiro Takanabe","doi":"10.1002/celc.202500081","DOIUrl":"10.1002/celc.202500081","url":null,"abstract":"<p>Water electrolysis powered by renewable energy sources is a mature and practical technique to produce green hydrogen. Its production cost is heavily influenced by efficiency and durability, with a particular concern being the durability of anodes for oxygen evolution reaction (OER) in highly oxidative and acidic/alkaline environments at elevated temperatures. Durability during intermittent operations with renewable sources, factoring in on/off cycling, is also a consideration. This study investigates the durability of NiFeO<sub>x</sub>, one of the most active electrocatalysts in alkaline conditions, under various conditions including industrially relevant conditions: 7 M KOH at 80 °C and 600 mA cm<sup>−2</sup>. The results show that on/off operations with extensive potential variation caused severe degradations compared to constant OER operations. However, stability improves slightly with the addition of saturated Fe<sup>3+</sup> ions into the electrolyte, preventing Fe leaching. By dissecting the degradation mechanism step-by-step, this study illuminates the limitations and assists in creating strategies for highly durable electrolysis systems.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 14","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500081","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144598474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Aqueous Solid Electrolyte Interphases in Water-in-Salt Electrolytes and Beyond 盐中水电解质及其他电解质中的水固体电解质界面
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-18 DOI: 10.1002/celc.202500129
Radhika Krishna Hema, Alberto Varzi
{"title":"Aqueous Solid Electrolyte Interphases in Water-in-Salt Electrolytes and Beyond","authors":"Radhika Krishna Hema,&nbsp;Alberto Varzi","doi":"10.1002/celc.202500129","DOIUrl":"10.1002/celc.202500129","url":null,"abstract":"<p>The key issue with advancing aqueous batteries is the narrow electrochemical stability window (ESW) of the electrolyte; past efforts have focused on extending the water decomposition limits, principally using the highly concentrated water-in-salt electrolytes (WiSEs) with limited “free” water. However, the high salt content largely complicates practicability and long-term performance, necessitating alternative strategies to enhance ESWs without relying entirely on huge amounts of salt. Forming stable, functional interphases on electrode surfaces can help realize this vision by masking the electrode from water, thereby inducing high overpotentials for hydrolysis. Solid electrolyte interphase (SEI) formation on the negative electrode has been observed to be particularly tricky to navigate through, due to the faster kinetics of water reduction or the hydrogen evolution reaction (HER), something popularly termed the “cathodic challenge.” We aim, through this concept review, to deliver a comprehensive overview of the mechanistic and electrochemical understandings that have been recognized over the years about the SEI formation in aqueous electrolytes. A broad analysis is drawn ranging from diluted to highly concentrated systems (WiSEs), while highlighting current challenges and limitations. The discussion is kept limited to Li-based batteries, which however, in most cases, could also be extrapolated to Na and K-based ones.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 15","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500129","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144705585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Understanding the Effects of Ethylene as an Airborne Contaminant in Proton Exchange Membrane Fuel Cells and its Mitigation via Filtration 了解乙烯作为空气污染物在质子交换膜燃料电池中的影响及其通过过滤的缓解
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-17 DOI: 10.1002/celc.202500082
Mahmoud Amirsalehi, Connor Miles, Justin Jordan, Karen E. Swider-Lyons, William Earl Mustain
{"title":"Understanding the Effects of Ethylene as an Airborne Contaminant in Proton Exchange Membrane Fuel Cells and its Mitigation via Filtration","authors":"Mahmoud Amirsalehi,&nbsp;Connor Miles,&nbsp;Justin Jordan,&nbsp;Karen E. Swider-Lyons,&nbsp;William Earl Mustain","doi":"10.1002/celc.202500082","DOIUrl":"10.1002/celc.202500082","url":null,"abstract":"<p>Proton exchange membrane fuel cells (PEMFCs) are a promising clean energy technology, but their performance and durability are highly sensitive to contaminants in both the fuel and oxidant streams. Among these, ethylene (C<sub>2</sub>H<sub>4</sub>) is of particular interest due to its presence in industrial and warehouse environments. This study investigates the impact of ethylene contamination on PEMFC performance when introduced into the cathode air feed. A combination of fuel cell performance testing, cyclic voltammetry, and gas chromatography is used to analyze the interaction of ethylene with the cathode catalyst. The presence of 20–300 ppm ethylene in air causes an immediate drop in the fuel cell operating voltage that is quickly recovered once the contaminant is removed, suggesting a reversible adsorption mechanism on the surface of the platinum cathode electrocatalyst, rather than the formation of strongly bound oxidation intermediates. Additionally, the study explores mitigation strategies by evaluating conventional and chemically modified air filters. While commercial air filters prove ineffective, a carbon supported platinum (Pt/Vulcan)-coated filter demonstrates partial ethylene removal, reducing performance losses. These findings provide critical insights into ethylene contamination mechanisms and offer potential mitigation strategies to improve PEMFC reliability in real-world applications.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 14","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500082","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144598650","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Electrochemical Characteristics of Anode Solid Electrolyte Interfaces Formed at Different Electrode Potentials: A Galvanostatic Intermittent Titration Technique-Electrochemical Impedance Spectroscopy-Distribution of Relaxation Times Approach 不同电极电位下形成的阳极固体电解质界面的电化学特性:恒流间歇滴定技术-电化学阻抗谱-弛豫时间分布方法
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-17 DOI: 10.1002/celc.202500133
Guoqing Zhang, Jingxian Yu, Shengping Wang
{"title":"Electrochemical Characteristics of Anode Solid Electrolyte Interfaces Formed at Different Electrode Potentials: A Galvanostatic Intermittent Titration Technique-Electrochemical Impedance Spectroscopy-Distribution of Relaxation Times Approach","authors":"Guoqing Zhang,&nbsp;Jingxian Yu,&nbsp;Shengping Wang","doi":"10.1002/celc.202500133","DOIUrl":"10.1002/celc.202500133","url":null,"abstract":"<p>The growth and dissolution of solid electrolyte interphases (SEI) on the surfaces of Cu, graphite, T-Nb<sub>2</sub>O<sub>5</sub>, Co<sub>3</sub>O<sub>4</sub>, and T-Nb<sub>2</sub>O<sub>5</sub>/Co<sub>3</sub>O<sub>4</sub> as anodes during lithiation/delithiation is systematically investigated using galvanostatic intermittent titration technique-electrochemical impedance spectroscopy-distribution of relaxation times in conjunction with X-ray photoelectron spectroscopy and transmission electron microscope analysis. Whilst traditional SEI analyzes are based on compositional layering and mosaic models, in this article, the growth and ablation behavior of SEI is analyzed in terms of the lithiation potential to distinguish between apparent and effective SEIs, and the SEI undergoes apparent SEI formation, effective SEI flourishing, and SEI reconstruction. The hidden dynamic characteristics of SEI are elucidated, and the effects of interfacial charge transfer and SEI reactions are decoupled. Active materials are used to regulate the concentration polarization to effectively control the competitive reactions involved in SEI formation, considerably increasing the initial Coulombic efficiency (CE) of T-Nb<sub>2</sub>O<sub>5</sub> from 35.52% to 75.77% and increasing the stability of the CE. These findings provide a foundational strategy for the targeted control of the SEI reactions by adjusting the rate of SEI formation, enabling the design of high-performance SEI that improve the electrode properties. The insights gained will help advance next-generation batteries.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 18","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500133","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
X-Ray Absorption Spectroscopy Probing of Gold Electro-Oxidation Reveals Intermediate Surficial Au(I) x射线吸收光谱探测金电氧化发现中间表面金(I)
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-16 DOI: 10.1002/celc.202500127
David Degerman, Sara Boscolo Bibi, Bernadette Davies, Vladimir Grigorev, Aleksandr Kalinko, Tony Hansson, Sergey Koroidov
{"title":"X-Ray Absorption Spectroscopy Probing of Gold Electro-Oxidation Reveals Intermediate Surficial Au(I)","authors":"David Degerman,&nbsp;Sara Boscolo Bibi,&nbsp;Bernadette Davies,&nbsp;Vladimir Grigorev,&nbsp;Aleksandr Kalinko,&nbsp;Tony Hansson,&nbsp;Sergey Koroidov","doi":"10.1002/celc.202500127","DOIUrl":"10.1002/celc.202500127","url":null,"abstract":"<p>While Au electro-oxidation in acidic aqueous media on a phenomenological level proceeds directly from Au(0) to Au(III), it has previously been suggested that Au(I) states are intermediate species of the oxidation mechanism. Here, additional evidence for the transient Au(I) is provided by the probing the electro-oxidation of Au electrode <i>operando</i> in a pH = 3 perchloric acid (HClO<sub>4</sub>) electrolyte by high-energy-resolution fluorescence-detected X-ray absorption near-edge structure (HERFD–XANES) at potentials up to 1.8 V versus the reversible hydrogen electrode (RHE). The perchlorate ions (ClO<sub>4</sub><sup>−</sup>) in the electrolyte are used as sacrificial oxidizing agents. The reduced perchlorate compounds in turn produce chloride ions, which react with Au ions to form Au–Cl compounds. The operando HERFD–XANES detects and identifies the chlorinated compounds as surficial Au(I), present during the early stages of Au oxidation. It is further inferred that Au(I) is accessed by the electrolyte. These observations are consistent with the previously hypothesized route for Au electro-oxidation involving charge transfer after a dipole-induced place-exchange step.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 15","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500127","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144705579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Effective Porous Filler Design for Streaming Potential-Driven Electropolymerization 流电位驱动电聚合的有效多孔填料设计
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-16 DOI: 10.1002/celc.202500181
Suguru Iwai, Ryota Kirino, Elena Villani, Kosuke Sato, George Hasegawa, Norio Ishizuka, Kimihiro Matsukawa, Ikuyoshi Tomita, Shinsuke Inagi
{"title":"Effective Porous Filler Design for Streaming Potential-Driven Electropolymerization","authors":"Suguru Iwai,&nbsp;Ryota Kirino,&nbsp;Elena Villani,&nbsp;Kosuke Sato,&nbsp;George Hasegawa,&nbsp;Norio Ishizuka,&nbsp;Kimihiro Matsukawa,&nbsp;Ikuyoshi Tomita,&nbsp;Shinsuke Inagi","doi":"10.1002/celc.202500181","DOIUrl":"10.1002/celc.202500181","url":null,"abstract":"<p>Bipolar electrode (BPE) systems have been attracting increasing attention owing to their cost-effectiveness and wireless design. Recently, the concept of streaming potential-driven BPEs for the oxidative electropolymerization of aromatic monomers without the need for an electric power supply is reported. However, the previous system, which used cotton as a filler material, had limitations in inducing suitable potential differences and charge amounts. Herein, various electrolytes and filling materials for flow cells are investigated for generating streaming potential. The results demonstrate that the use of bicontinuous porous filler materials and electrolytes containing ammonium cations and small anions effectively induces high streaming potential values. Consequently, the monomer scope of the electropolymerization method is extended compared to that of the prototype cell. In addition, a divided flow cell is developed to overcome the limitations of the available reaction.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 18","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500181","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Microbial Electrosynthesis for Sustainable Polyhydroxybutyrate Production from CO2 Using Bismuth Nanoparticles 利用纳米铋纳米颗粒从CO2中可持续地电合成聚羟基丁酸盐
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-16 DOI: 10.1002/celc.202500094
Aliyah Aliyah, Filemon Jalu Nusantara Putra, Hiro Minamimoto, Yutaro Mori, Prihardi Kahar, Muhammad Iqbal Syauqi, Chiaki Ogino
{"title":"Microbial Electrosynthesis for Sustainable Polyhydroxybutyrate Production from CO2 Using Bismuth Nanoparticles","authors":"Aliyah Aliyah,&nbsp;Filemon Jalu Nusantara Putra,&nbsp;Hiro Minamimoto,&nbsp;Yutaro Mori,&nbsp;Prihardi Kahar,&nbsp;Muhammad Iqbal Syauqi,&nbsp;Chiaki Ogino","doi":"10.1002/celc.202500094","DOIUrl":"10.1002/celc.202500094","url":null,"abstract":"<p>Microbial electrochemical technologies (MET) are a promising approach that integrates electrochemical and microbial processes to convert CO<sub>2</sub> into value-added chemicals. Herein, <i>Cupriavidus necator</i> is utilized to produce polyhydroxybutyrate (PHB) using electrochemically synthesized formate as the sole carbon source. Formate is generated via CO<sub>2</sub> reduction using a Bi-based electrode in a physiological electrolyte, achieving concentrations of ≈40 mM with a production rate of 0.05 mmol h<sup>−1</sup> cm<sup>−2</sup> and the highest faradaic efficiency achieved up to 50.81%. Two MET configurations are evaluated: an integrated system, where CO<sub>2</sub> reduction and fermentation occur in a single reactor, and a drop-in system, where electrochemically produced formate is collected and later is used for fermentation. The drop-in system achieves the highest PHB production, reaching ≈340 mg L<sup>−1</sup> within 24 h. By directly utilizing the formate-containing electrolyte as a fermentation medium, this approach simplifies process integration, reduces purification steps, and improves compatibility between electrochemical and microbial systems. These findings highlight the potential of MET as a scalable platform for sustainable biopolymer production from CO<sub>2</sub>.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 14","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500094","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144598465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Effect of Operating Temperature on Ni–Fe Alloy Nanostructured Electrodes for Alkaline Electrolyzer 工作温度对碱性电解槽用镍铁合金纳米电极的影响
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-16 DOI: 10.1002/celc.202500042
Alberto Affranchi, Roberto Luigi Oliveri, Sonia Longo, Gabriele Miccichè, Sonia Carbone, Francesca Bellomo, Salvatore Geraci, Bernardo Patella, Nadia Moukri, Giuseppe Aiello, Maurizio Cellura, Philippe Mandin, Myeongsub Kim, Rosalinda Inguanta
{"title":"Effect of Operating Temperature on Ni–Fe Alloy Nanostructured Electrodes for Alkaline Electrolyzer","authors":"Alberto Affranchi,&nbsp;Roberto Luigi Oliveri,&nbsp;Sonia Longo,&nbsp;Gabriele Miccichè,&nbsp;Sonia Carbone,&nbsp;Francesca Bellomo,&nbsp;Salvatore Geraci,&nbsp;Bernardo Patella,&nbsp;Nadia Moukri,&nbsp;Giuseppe Aiello,&nbsp;Maurizio Cellura,&nbsp;Philippe Mandin,&nbsp;Myeongsub Kim,&nbsp;Rosalinda Inguanta","doi":"10.1002/celc.202500042","DOIUrl":"10.1002/celc.202500042","url":null,"abstract":"<p>Herein, the effect of operating temperature on alkaline electrolytic cells for hydrogen generation using nanostructured electrodes is studied. Nanostructured nickel–iron alloy electrodes are obtained by electrosynthesis in a template. These electrodes are characterized by a nanowire-like structure with a high active surface area and consequently a higher catalytic activity than non-nanostructured materials. The chemical and morphological features of nanostructured electrodes are evaluated by energy-dispersive spectroscopy, X-ray diffraction, and scanning electron microscopy analyses. The electrochemical behavior of the nanostructured electrodes is studied through different tests in alkaline solutions. Tests are performed at different temperatures, 25, 40, and 60 °C, to evaluate the performance in terms of hydrogen and oxygen production and to verify the medium-term stability under galvanostatic conditions. The electrodes demonstrate good stability over time without evident signs of performance decay. The performance of a homemade electrolyzer with nanostructured electrodes is also studied at different temperatures and under industrial operation conditions for 600 h. The environmental impacts through the application of life cycle assessment methodology are also evaluated.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 14","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500042","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144598466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Lipophilic Resazurin in Bioelectrochemical Systems: Role in Regulating Carbon Metabolic Pathways 生物电化学系统中的亲脂性瑞祖林:在调节碳代谢途径中的作用
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-16 DOI: 10.1002/celc.202500092
Siyu Tan, Xiao Zhu, Xinxin Wang, Huangsheng Su, Zongqiang Zhu, Xiaobo Luo, John R. Reinfelder, Yundang Wu, Fangbai Li
{"title":"Lipophilic Resazurin in Bioelectrochemical Systems: Role in Regulating Carbon Metabolic Pathways","authors":"Siyu Tan,&nbsp;Xiao Zhu,&nbsp;Xinxin Wang,&nbsp;Huangsheng Su,&nbsp;Zongqiang Zhu,&nbsp;Xiaobo Luo,&nbsp;John R. Reinfelder,&nbsp;Yundang Wu,&nbsp;Fangbai Li","doi":"10.1002/celc.202500092","DOIUrl":"10.1002/celc.202500092","url":null,"abstract":"<p>Lipophilic electron shuttles (ESs), such as phenazine and phenoxazine, can penetrate the outer membrane and enter the periplasmic space, mediating extracellular electron transfer reactions. This study investigates how lipophilic ESs (resazurin, a phenoxazine) regulate carbon metabolic pathways in bioelectrochemical systems using <i>Shewanella oneidensis</i> MR-1 as a model organism. Through the analysis of acetate yield, CO<sub>2</sub> production, coulombic efficiency, and other parameters, it is found that resazurin increases coulombic efficiency (26% vs 17% for anthraquinone-2,6-disulfonic acid [AQDS]) and reduces acetate yield (82% vs 90% for AQDS) while slightly increasing CO<sub>2</sub> production (13.1% vs 11.8% for AQDS), indicating a shift in carbon metabolism. Transcriptome analysis reveals significant upregulation of genes involved in the NADH-dependent metabolic pathway (e.g., <i>nuoHIJKLMN</i>) and ATP synthesis (<i>atpABDEFGH</i>) under resazurin conditions. Mutant strains lacking key genes in oxidative phosphorylation (Δ<i>atp</i>) or substrate-level phosphorylation (Δ<i>ack&amp;pta</i>) further confirm the regulatory role of lipophilic shuttles. The study proposes that lipophilic ESs penetrate the periplasm, altering the redox state of inner-membrane quinones and activating the NADH-dependent metabolic pathway via the Arc system. This mechanism enhances TCA cycle activity and overall lactate metabolic efficiency. The findings provide insights into microbial carbon metabolic regulation and offer strategies for optimizing bioelectrochemical systems for bioremediation.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 14","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500092","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144598464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Surface Acidity of Basic Oxides: The Case Study of Solvated ZnO from Density Functional Theory-Based Molecular Dynamics Simulations 碱性氧化物的表面酸度:以密度泛函理论为基础的分子动力学模拟为例研究溶剂化氧化锌
IF 3.5 4区 化学
ChemElectroChem Pub Date : 2025-06-12 DOI: 10.1002/celc.202500121
Aishwarya Sudhama, Chao Zhang
{"title":"Surface Acidity of Basic Oxides: The Case Study of Solvated ZnO from Density Functional Theory-Based Molecular Dynamics Simulations","authors":"Aishwarya Sudhama,&nbsp;Chao Zhang","doi":"10.1002/celc.202500121","DOIUrl":"10.1002/celc.202500121","url":null,"abstract":"<p>Zinc oxide is a versatile semiconducting metal oxide for both environmental and energy applications. Here, the surface acidity of the ZnO(10<span></span><math></math>0)/NaCl sol. system is investigated by applying density functional theory-based molecular dynamics simulations. A new set of repulsive potential is developed, which leads to a consistent description of p<i>K</i><sub>a</sub> of Zn<sub>2</sub>O<sub>s</sub>H<sup>+</sup>. By exploring the relation between the vertical energy gap at the deprotonated state (of acid) and the corresponding p<i>K</i><sub>a</sub>, this work reveals that different sets of repulsive potentials are likely needed for accurate predictions of surface acidity for basic oxides.</p>","PeriodicalId":142,"journal":{"name":"ChemElectroChem","volume":"12 15","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/celc.202500121","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144705088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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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