{"title":"Spontaneous charge redistribution with diverse nucleophilic and electrophilic sites in NiTe/Mo6Te8 for urea-assisted water electrolysis","authors":"Chun Yin , Shuli Wang , Fulin Yang , Ligang Feng","doi":"10.1016/j.jechem.2025.02.042","DOIUrl":"10.1016/j.jechem.2025.02.042","url":null,"abstract":"<div><div>Developing heterojunction catalysts with diverse adsorption sites presents significant opportunities to enhance the performance of urea-assisted water electrolysis. Herein, we highlighted a NiTe/Mo<sub>6</sub>Te<sub>8</sub> heterojunction catalyst confined in carbon nanofiber with spontaneous charge redistribution driven by high valent metal, which promotes the adsorption and transformation of intermediates and greatly reduces the reaction energy barrier for urea oxidation. The heterojunction catalyst promotes the formation of Ni<sup>3+</sup> active species and accelerates the fracture of the C–N bond by enhancing selective adsorption of –NH<sub>2</sub> and C=O groups in binding urea molecules driven by the spontaneous formation of nucleophilic and electrophilic sites. The catalyst achieves a low kinetic current density of 10 mA cm<sup>−2</sup> at 1.35 V with a cell voltage for urea electrolysis of just 1.47 V and good durability over 60 h. Density-functional theory and in-situ spectral observation reveal that the high valent Mo promoted the 3<em>d</em> orbit of Ni approaching the Fermi level by adjusting the electronic structure, which enhanced spontaneous urea dehydrogenation and reduced the energy barrier for *COO desorption. This study highlights the effectiveness of modulating the interfacial electronic structure to improve energy conversion efficiency.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 340-350"},"PeriodicalIF":13.1,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143706238","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}
Chenliang Zhou , Cheng-Zong Yuan , Fengyang Jing , Cong-Hui Li , Hongrui Zhao , Yuting Sun , Wenjing Yuan
{"title":"Understanding the interatomic electron transfer effect on boosting electrocatalytic water splitting over Nd-Co3O4 nanosheets self-supporting electrode","authors":"Chenliang Zhou , Cheng-Zong Yuan , Fengyang Jing , Cong-Hui Li , Hongrui Zhao , Yuting Sun , Wenjing Yuan","doi":"10.1016/j.jechem.2025.02.040","DOIUrl":"10.1016/j.jechem.2025.02.040","url":null,"abstract":"<div><div>Regulating the orbital spin-electron filling of metal centers via interatomic electron transfer in transition metal oxides is one promising approach to enhancing their electrocatalytic oxygen evolution reaction (OER) performances, while it is still a challenge due to lacking of efficient strategy and deep understanding. In this work, a facile strategy containing electrochemical deposition and annealing in air atmosphere has been proposed to introduce monodispersed neodymium (Nd) atoms into spinel Co<sub>3</sub>O<sub>4</sub> nanosheets to trigger the electron transfer. Accordingly, the as-prepared Nd doped Co<sub>3</sub>O<sub>4</sub> nanosheets (Nd/Co<sub>3</sub>O<sub>4</sub>) on nickel foam or carbon cloth showed greatly enhanced OER performances, with low overpotential of 284 and 396 mV at 10 mA cm<sup>−2</sup>, small Tafel slope of 95 and 119 mV dec<sup>−1</sup> in 1.0 M KOH and 0.5 M H<sub>2</sub>SO<sub>4</sub>, respectively. The experimental and density function theory results coherently indicate that the charge transfer in the Nd-O-Co asymmetric configuration not only enhances the conductivity of Co<sub>3</sub>O<sub>4</sub>, but also regulates the filling degree of <em>e</em><sub>g</sub> orbitals of Co, leading to higher spin states, optimized adsorption ability, and accelerated H<sub>2</sub>O dissociation process, thus achieving boosted OER activity.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 142-150"},"PeriodicalIF":13.1,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143679937","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}
Yazhou Wang , Xiao Huang , Wenjing Ji , Yao Wu , Shangquan Zhao , Yong Li , Naigen Zhou
{"title":"Insights into the doping rules of heteroatom on Ni-rich ternary cathode stability by integrating high throughput calculation and machine learning","authors":"Yazhou Wang , Xiao Huang , Wenjing Ji , Yao Wu , Shangquan Zhao , Yong Li , Naigen Zhou","doi":"10.1016/j.jechem.2025.02.037","DOIUrl":"10.1016/j.jechem.2025.02.037","url":null,"abstract":"<div><div>Oxygen release from Ni-rich cathode is one of the major structural degradations resulting in rapid performance fading in lithium-ion batteries (LIBs). The energy gap between the transition metals (TM)-<em>d</em> band and the O-<em>p</em> band serves as an effective evaluation metric in characterizing the potential for oxygen release. Given that the primary oxidation factors of NCM811 materials vary at different states of charge (SOC), this study employs high-throughput density functional theory (DFT) calculations combined with machine learning (ML) to systematically investigate the regulation mechanism of heteroatoms on the energy gap between the TM-<em>d</em> band (TM = Ni, Co) and O-<em>p</em> band at various SOC levels. High-throughput DFT calculations were used to study doping thermodynamic stability and complete the database. The results indicate that dopant atoms remain at their original sites even at 50% SOC. Correlation analysis reveals that at 0 SOC, the dopant reduces Ni–O bonding interactions by forming its own bonds with oxygen, thereby preventing lattice oxygen escape and weakening the oxygen binding of the system during Ni redox. At 50% SOC, the dopant and Co atoms synergistically strengthen their bonding interactions with oxygen, thereby maintaining structural stability and inhibiting lattice oxygen escape. Based on <em>R</em><sup>2</sup> and root-mean-square error (RMSE), the gradient boosting regression (GBR) algorithm is identified as optimal for predicting the energy gaps between the Ni-<em>d</em> band and O-<em>p</em> band, as well as between the Co-<em>d</em> band and O-<em>p</em> band. Feature importance analysis demonstrates that the magnetic moment (Dma) of the doped atom significantly contributes to the prediction of ΔNi–O and ΔCo–O. In this study, the energy gap regulation mechanisms of Ni-<em>d</em>/O-<em>p</em> and Co-<em>d</em>/O-<em>p</em> are systematically investigated using non-empirical first principle calculations combined with data-driven machine learning, aiming to provide insights into the electrochemical stability of NCM811 and related materials.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 161-172"},"PeriodicalIF":13.1,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143680000","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":"Experimental approaches for carbon corrosion analysis in automotive-PEM fuel cells","authors":"Sachin Hegde , Ralf Wörner , Bahman Shabani","doi":"10.1016/j.jechem.2025.02.035","DOIUrl":"10.1016/j.jechem.2025.02.035","url":null,"abstract":"<div><div>This paper provides a comprehensive review of various experimental methods used to study carbon corrosion in automotive polymer exchange membrane fuel cells. Quantifying the extent of carbon corrosion is essential for advancing the technology and implementing effective mitigation strategies. While studying degradation events directly within a real-world fuel cell vehicle offers the most reliable insights, the high costs and time demands make it necessary to develop specialised experimental techniques that provide high-resolution data more efficiently and cost-effectively. This review explores the various experimental approaches utilised in automotive application induced carbon corrosion studies globally, including load profiles, test setups, break-in procedures, and cell recovery protocols. In this paper, emphasis is placed on the standardised procedures proposed by leading institutions worldwide, accompanied by critical discussions on these protocols. Furthermore, the paper highlights modified or innovative procedures developed by smaller institutions, universities, and individual researchers, thereby offering a comprehensive overview essential for carbon corrosion analysis. The review also discusses the fundamental principles, benefits, and limitations of various procedures, offering guidance on selecting the most appropriate approach for a given study. Lastly, it addresses the limitations within the current body of literature and outlines potential future prospects.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 248-270"},"PeriodicalIF":13.1,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696717","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}
Yaqian Wang , Pengxiang Liu , Ruijun Lv , Peng Yu , Haiyang Zhang , Xu Liu , Lei Wang
{"title":"Recent advances in two-electron oxygen reduction catalysts for electro-Fenton technology","authors":"Yaqian Wang , Pengxiang Liu , Ruijun Lv , Peng Yu , Haiyang Zhang , Xu Liu , Lei Wang","doi":"10.1016/j.jechem.2025.02.034","DOIUrl":"10.1016/j.jechem.2025.02.034","url":null,"abstract":"<div><div>The oxygen reduction reaction (ORR) holds significant potential for various energy conversion and utilization technologies. In particular, the two-electron (2e<sup>−</sup>) ORR process for the electro-synthesis of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) facilitates the continuous production of this compound. Recently, the application of 2e<sup>−</sup> ORR in electro-Fenton (EF) technology has garnered substantial attention within the wastewater treatment sector. Despite substantial advancements, challenges remain regarding the activity and stability of oxygen reduction catalysts, as well as the specific reaction conditions, which continue to limit the degradation efficiency of EF technology. Therefore, it is essential to examine the progress in research on 2e<sup>−</sup> oxygen reduction catalysts and the optimization of EF reaction conditions. This review begins by summarizing the fundamental principles of ORR and EF technologies. It discusses the regulatory strategies for carbon-based and transition metal-based catalysts aimed at improving the yield and selectivity of H<sub>2</sub>O<sub>2</sub>. Additionally, the optimization methods for EF reaction conditions are outlined, focusing on promoting the regeneration of Fe<sup>2+</sup> and broadening the operational pH range. The review further elaborates on novel coupling technologies. Finally, it envisions future research prospects to enhance the practicality and feasibility of EF technology in wastewater treatment.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 455-474"},"PeriodicalIF":13.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143747798","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}
Shanshan Xue , Yu Xia , Jiaxiao Wang , Qianhui Liu
{"title":"Comprehensive recycling of spent automotive lithium-ion batteries in China: Full-chain processes and recycling strategies","authors":"Shanshan Xue , Yu Xia , Jiaxiao Wang , Qianhui Liu","doi":"10.1016/j.jechem.2025.02.032","DOIUrl":"10.1016/j.jechem.2025.02.032","url":null,"abstract":"<div><div>The recycling of spent lithium-ion batteries (LIBs) has aroused considerable interest among the general public, industry professionals, and academic researchers, driven by its environmental, resource recovery, and economic benefits, particularly for those used in new energy vehicles. However, recycling spent automotive LIBs for industrial production remains challenging due to technical feasibility, recycling efficiency, economic viability, and environmental sustainability. This review aims to systematically analyze the status of spent automotive LIBs recycling, and provide an overall review of the full-chain recycling processes for technical evaluation and selection. Firstly, it carefully describes the pre-treatment process, which includes discharging, disassembly, inspection, crushing, pyrolysis, and sieving of LIBs. Subsequently, it examines the principal technologies in extracting valuable metals, including pyro-metallurgy, hydro-metallurgy, microbial metallurgy, mechanical chemistry, and electrochemical deposition. A comprehensive analysis of the operation, mechanism, efficiency, and economics is provided, helping readers understand the technical advantages, disadvantages, and applicable scenarios of each process. Furthermore, it also considers novel environmentally-friendly processes, such as direct regeneration and direct synthesis, and analyzes their potential and limitations in the resource recycling field. Finally, differentiated comprehensive recycling strategies are proposed for typical spent automotive LIBs, aiming at providing effective guidance and recommendations for industrial investors and practitioners, and promoting sustainable development of the comprehensive recycling industry.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 101-122"},"PeriodicalIF":13.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143679934","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}
Xinlun Song , Juan Zhang , Xiaogeng Feng , Yan’ou Qi , Junshuo Cui , Ying Xiong
{"title":"CoFe2O4/CoFe loaded 3D ordered hierarchical porous N-doped carbon for efficient oxygen reduction in Zn-air battery and hydrogen evolution","authors":"Xinlun Song , Juan Zhang , Xiaogeng Feng , Yan’ou Qi , Junshuo Cui , Ying Xiong","doi":"10.1016/j.jechem.2025.02.029","DOIUrl":"10.1016/j.jechem.2025.02.029","url":null,"abstract":"<div><div>Optimizing active sites and enhancing mass transfer capability are of paramount importance for the improvement of electrocatalyst activity. On this basis, CoFe<sub>2</sub>O<sub>4</sub>/CoFe nanoparticles (NPs) loaded N-doped carbon (NC) that featured with interconnected three-dimensional (3D) ordered porous hierarchies (3DOM FeCo/NC) are prepared, and its electrocatalytic activity is studied. Due to the open structure of 3D ordered macro-pores that greatly improves the mass transfer capacity of the catalytic process and enhances the utilization of active sites inside the catalyst, as well as the uniform distribution of Fe and Co bimetallic sites on the porous skeleton, 3DOM FeCo/NC exhibits superior bi-functional catalytic activities for both hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR). The overpotential of HER is lower than that of commercial Pt/C when performed at high current density (>235 mA cm<sup>−2</sup>) in 1.0 M KOH, and the half-wave potential (0.896 V) of ORR in 0.1 M KOH is also superior to that of 20% commercial Pt/C and most other similar catalysts. The effective utilization and synergistic effect of CoFe<sub>2</sub>O<sub>4</sub> and CoFe hetero-metallic sites remarkably enhance the electrocatalytic activity. Furthermore, 3DOM FeCo/NC is assembled as an air electrode in Zn-air battery, and exhibits satisfactory maximum power density, open-circuit voltage, and charge/discharge stability over benchmark Pt/C + IrO<sub>2</sub>. This work contributes new insights into the design of transition-metal-based multifunctional catalysts, and has great potential for energy conversion and storage.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 220-230"},"PeriodicalIF":13.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143680002","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}
Beibei Li , Conglei Xu , Yifei Wang , Peiyang Duan , Zhirong Sun , Jingyu Sun
{"title":"Advancing polynary-atom catalysts: customization, preparation and utilization","authors":"Beibei Li , Conglei Xu , Yifei Wang , Peiyang Duan , Zhirong Sun , Jingyu Sun","doi":"10.1016/j.jechem.2025.02.033","DOIUrl":"10.1016/j.jechem.2025.02.033","url":null,"abstract":"<div><div>Throughout versatile metal compositions and unique structural characteristics, polynary metal atom catalysts (PACs) readily harness synergistic intermetallic effects, significantly boosting the catalytic performances. These catalysts are featured by favorable catalytic activity, stability and selectivity, offering avenues to tackle challenges in energy conversion, environmental protection and chemical synthesis. Nevertheless, an in-depth understanding and comprehensive summary of the structure-performance relationship for the emerging PACs remains elusive. This review embarks from the classification of PACs, delving further into the origins of catalytic activity and mechanisms underpinning performance enhancement. At the beginning, it outlines the fundamental concepts, preparation methods and accurate recognition of PACs. Subsequently, it centers on discussing the origins of activity, strategies for performance optimization, mechanisms of action, and application scenarios across diverse catalytic reactions. Moreover, the unexplored issues and future perspectives of PACs are proposed at the end, stating their pivotal roles in advancing green chemistry and the sustainable energy realm. This review overall aims to provide valuable insight and guidance for the preparation and application of PACs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 475-506"},"PeriodicalIF":13.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143747799","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}
Chen Liang , Shengyu Tao , Xinghao Huang , Yezhen Wang , Bizhong Xia , Xuan Zhang
{"title":"Stochastic state of health estimation for lithium-ion batteries with automated feature fusion using quantum convolutional neural network","authors":"Chen Liang , Shengyu Tao , Xinghao Huang , Yezhen Wang , Bizhong Xia , Xuan Zhang","doi":"10.1016/j.jechem.2025.02.030","DOIUrl":"10.1016/j.jechem.2025.02.030","url":null,"abstract":"<div><div>The accurate state of health (SOH) estimation of lithium-ion batteries is crucial for efficient, healthy, and safe operation of battery systems. Extracting meaningful aging information from highly stochastic and noisy data segments while designing SOH estimation algorithms that efficiently handle the large-scale computational demands of cloud-based battery management systems presents a substantial challenge. In this work, we propose a quantum convolutional neural network (QCNN) model designed for accurate, robust, and generalizable SOH estimation with minimal data and parameter requirements and is compatible with quantum computing cloud platforms in the Noisy Intermediate-Scale Quantum. First, we utilize data from 4 datasets comprising 272 cells, covering 5 chemical compositions, 4 rated parameters, and 73 operating conditions. We design 5 voltage windows as small as 0.3 V for each cell from incremental capacity peaks for stochastic SOH estimation scenarios generation. We extract 3 effective health indicators (HIs) sequences and develop an automated feature fusion method using quantum rotation gate encoding, achieving an <em>R</em><sup>2</sup> of 96%. Subsequently, we design a QCNN whose convolutional layer, constructed with variational quantum circuits, comprises merely 39 parameters. Additionally, we explore the impact of training set size, using strategies, and battery materials on the model’s accuracy. Finally, the QCNN with quantum convolutional layers reduces root mean squared error by 28% and achieves an <em>R</em><sup>2</sup> exceeding 96% compared to other three commonly used algorithms. This work demonstrates the effectiveness of quantum encoding for automated feature fusion of HIs extracted from limited discharge data. It highlights the potential of QCNN in improving the accuracy, robustness, and generalization of SOH estimation while dealing with stochastic and noisy data with few parameters and simple structure. It also suggests a new paradigm for leveraging quantum computational power in SOH estimation.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 205-219"},"PeriodicalIF":13.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696714","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}
Xinyi Wei , Arthur Waeber , Shivom Sharma , Ligang Wang , Stefan Diethelm , François Maréchal , Jan Van herle
{"title":"Advancing non-carbon energy: optimized and safely operated solid oxide fuel cell design for industrial feasibility","authors":"Xinyi Wei , Arthur Waeber , Shivom Sharma , Ligang Wang , Stefan Diethelm , François Maréchal , Jan Van herle","doi":"10.1016/j.jechem.2025.02.028","DOIUrl":"10.1016/j.jechem.2025.02.028","url":null,"abstract":"<div><div>As the world shift towards sustainable energy solutions, solid oxide fuel cells (SOFCs) using non-carbon fuels like ammonia and hydrogen emerge as promising pathways to produce clean energy and enhance conversion efficiency. However, current implementations encounter challenges such as nitriding effects from direct ammonia injection to the stack, overestimated benefits of anode off-gas (AOG) recirculation, and a sole focus on electrical efficiency that overlooks the thermal advantages of SOFCs. This study addresses these gaps through a comprehensive multi-objective optimization of SOFC systems fueled by ammonia and hydrogen, assessing their efficiency, fuel utilization, and heat exergy. The research translates material phenomena into mathematical constraints and quantifies the effects of control variables through systematic parameter variation. Results indicate that ammonia-fueled SOFC systems slightly outperform hydrogen, achieving an electrical efficiency of about 65% compared to 62% for hydrogen systems, although hydrogen demonstrates superior fuel utilization and exergy efficiency. Optimal AOG recirculation and NH<sub>3</sub> cracking fraction that do not compromise stack lifetime and stay in the safe operating zone of nitriding are identified. It also challenges the assumptions that a higher AOG recirculation can benefit performance, suggesting that more extensive AOG recirculation might not always enhance it. Soft sensors are provided to predict system's performance and enable proactive adjustments to facilitate industrial applications where some parameters, such as high-temperature stack's pressure drop, are costly or difficult to measure. This study significantly advances the practical deployment of SOFC technologies, enhancing their feasibility for sustainable energy development.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"106 ","pages":"Pages 231-247"},"PeriodicalIF":13.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696715","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}