Journal of Energy Chemistry最新文献_第2页

Electrocatalytic semi-hydrogenation of terminal alkynes through intermetallic hydrogen spillover on alloyed PdAu 金属间氢在合金PdAu上溢出的电催化末端炔半加氢反应

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-23 DOI: 10.1016/j.jechem.2025.08.024

Qiang Tan , Yunxia Liu , Xiaohe Tan , Yuxuan Jiang , Chenkun Su , Yuanyuan Ma , Yongquan Qu

{"title":"Electrocatalytic semi-hydrogenation of terminal alkynes through intermetallic hydrogen spillover on alloyed PdAu","authors":"Qiang Tan , Yunxia Liu , Xiaohe Tan , Yuxuan Jiang , Chenkun Su , Yuanyuan Ma , Yongquan Qu","doi":"10.1016/j.jechem.2025.08.024","DOIUrl":"10.1016/j.jechem.2025.08.024","url":null,"abstract":"<div><div>Electrocatalytic semi-hydrogenation of alkynes offers a sustainable pathway for synthesizing functionalized olefins, yet challenges in achieving high selectivity and Faradaic efficiency at low overpotentials remain unresolved. Herein, we report bimetallic PdAu electrocatalysts (PdAu@CC) with low Pd loadings for selective semi-hydrogenation of terminal alkynes through an intermetallic hydrogen spillover pathway. The optimized PdAu@CC catalysts with a Pd molar fraction of 4 % demonstrate exceptional performance in converting acetylene benzene to vinyl benzene, achieving 97.5 % selectivity and 78.2 % Faradaic efficiency at a low potential of −0.17 V vs. RHE, outperforming monometallic Au@CC and Pd@CC. Mechanistic investigations reveal that highly dispersed Pd sites in the Au matrix efficiently dissociate water to generate active H* intermediates. Au sites activate alkynes and promote alkenes desorption, which effectively avoid over-hydrogenation of alkynes. Kinetically favorable Pd-to-Au hydrogen spillover enables selective alkynes-to-alkene hydrogenation, suppressing competitive hydrogen evolution. This work highlights the intermetallic hydrogen spillover as a strategic pathway for designing dual-active-site electrocatalysts with high performance in alkyne semi-hydrogenation.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 969-978"},"PeriodicalIF":14.9,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145018815","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}

引用次数: 0

Carbon dioxide electroreduction to ethylene based on cyano-containing organocatalysts 基于含氰有机催化剂的二氧化碳电还原制乙烯

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-23 DOI: 10.1016/j.jechem.2025.08.023

Pan Wang , Yong Gao , Xiao Han , Chang Guo , Xueyuan Qiu , Runtong Zhou , Tao Zheng , Jing Zhang , Jian Zhang , Jincheng Wang , Zhenhai Xia , Jianhua Hao

{"title":"Carbon dioxide electroreduction to ethylene based on cyano-containing organocatalysts","authors":"Pan Wang , Yong Gao , Xiao Han , Chang Guo , Xueyuan Qiu , Runtong Zhou , Tao Zheng , Jing Zhang , Jian Zhang , Jincheng Wang , Zhenhai Xia , Jianhua Hao","doi":"10.1016/j.jechem.2025.08.023","DOIUrl":"10.1016/j.jechem.2025.08.023","url":null,"abstract":"<div><div>The electrochemical CO<sub>2</sub> reduction reaction (eCO<sub>2</sub>RR), producing gaseous C<sub>2+</sub> products such as ethylene (C<sub>2</sub>H<sub>4</sub>), represents a sustainable strategy to mitigate the greenhouse effect. Inspired by the promotion effect of the cyano group (–C≡N) for C–C coupling in organic chemistry, several cyano-containing organocatalysts have been found to be capable of directly converting CO<sub>2</sub> into C<sub>2</sub>H<sub>4</sub> with –C≡N as the active center during the eCO<sub>2</sub>RR. The selectivity of C<sub>2</sub>H<sub>4</sub> for the representative catalyst, metal-free dicyandiamide (DCD), reached 27.6 % after partial hydrogenation in KHCO<sub>3</sub> solution. In addition, its selectivity can be further improved to 57.7 % when coupled with oriented Cu crystals. The experimental and computational results collectively reveal that charge redistribution between Cu{100} and DCD promotes the partial hydrogenation of the cyano group and lays the foundation for the reduced energy barrier for the CO<sub>2</sub> reduction on –C≡N. This study breaks the limitations of traditional metal/metal oxide-based catalysts by using cyano-containing organocatalysts for direct C<sub>2+</sub> product generation, expanding the eCO<sub>2</sub>RR catalyst library. In addition, this research elucidates the role of charge redistribution and cyano group hydrogenation in lowering reaction barriers, providing fundamental guidance for the design of new organocatalysts.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 944-953"},"PeriodicalIF":14.9,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145018814","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}

引用次数: 0

Elevating redox potential towards robust single-crystalline NaNi1/3Fe1/3Mn1/3O2 via chlorination engineering 通过氯化工程提高氧化还原电位生成坚固的单晶NaNi1/3Fe1/3Mn1/3O2

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-22 DOI: 10.1016/j.jechem.2025.08.020

Ziyue Qiu , Shihao Li , Wei Zhou , Fangyan Liu , Yuhang Zhang , Yi Zhang , Huiru Wang , Yanqing Lai , Zhian Zhang

{"title":"Elevating redox potential towards robust single-crystalline NaNi1/3Fe1/3Mn1/3O2 via chlorination engineering","authors":"Ziyue Qiu , Shihao Li , Wei Zhou , Fangyan Liu , Yuhang Zhang , Yi Zhang , Huiru Wang , Yanqing Lai , Zhian Zhang","doi":"10.1016/j.jechem.2025.08.020","DOIUrl":"10.1016/j.jechem.2025.08.020","url":null,"abstract":"<div><div>The active surface chemistry of O3-type NaNi<sub>1/3</sub>Fe<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub> (NFM) results in poor air stability, leading to severe structural degradation upon exposure to air. Elevating the redox potential of the material can suppress the spontaneous deintercalation of Na<sup>+</sup>, thereby mitigating this issue; however, the underlying strategies and mechanisms for such enhancement remain unclear. In this study, we develop a chlorination treatment approach to elevate the redox potential of the single-crystalline NFM, and the modified sample (NFM-Cl) demonstrates enhanced electrochemical performance and air stability. In NFM-Cl, partial Cl<sup>−</sup> is incorporated into O sites, expanding the Na<sup>+</sup> channels, and the band gap between the transition metal (TM) 3<em>d</em> orbitals and the Fermi level is broadened to enhance the cationic redox potential of TM ions and reduce spontaneous sodium deintercalation. Simultaneously, the surface residual alkali of NFM-Cl is in situ transformed into a chlorinated interfacial layer, serving as a physical barrier to prevent direct contact between NFM-Cl and the electrolyte or humid air. Consequently, NFM-Cl exhibits a remarkable capacity retention of 89.1 % after 200 cycles at 1 C and 82.0 % after 15 days of exposure to a simulated air environment. This study presents a novel strategy for elevating the redox potential of cathode materials for sodium-ion batteries (SIBs) and elucidates the underlying mechanism, offering an air-stable oxide cathode material with high specific energy and long cycle life, along with an advanced SIB system.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 867-876"},"PeriodicalIF":14.9,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996158","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}

引用次数: 0

Stabilizing P2-phase in layered oxides via electronic modulation for high-performance sodium-ion batteries 通过电子调制稳定层状氧化物中的p2相用于高性能钠离子电池

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-22 DOI: 10.1016/j.jechem.2025.08.021

Zhipeng Xu , Yulei Ren , Zhihong Xiao , Xiangze Kong , Zhongyu Sun , Qingyin Zhang , Qiangzhi Shi

{"title":"Stabilizing P2-phase in layered oxides via electronic modulation for high-performance sodium-ion batteries","authors":"Zhipeng Xu , Yulei Ren , Zhihong Xiao , Xiangze Kong , Zhongyu Sun , Qingyin Zhang , Qiangzhi Shi","doi":"10.1016/j.jechem.2025.08.021","DOIUrl":"10.1016/j.jechem.2025.08.021","url":null,"abstract":"<div><div>P2-type layered oxides are highly promising cathode candidates for sodium-ion batteries (SIBs) owing to their substantial theoretical capacity. Nevertheless, structural degradation caused by transition metal dissolution and irreversible phase transitions at high voltage severely compromises cycling stability. To address this limitation, we propose a Li/Ti co-doping strategy to design a Na<sub>0.67</sub>Li<sub>0.06</sub>Ni<sub>0.27</sub>Mn<sub>0.57</sub>Ti<sub>0.1</sub>O<sub>2</sub> (NLMT) cathode for SIBs. In-situ X-ray diffraction (XRD) confirms that this deliberate strategy eliminates the adverse phase transition at high voltage and sustains the unitary P2 phase throughout cycling. In addition, strengthened transition metal–oxygen (TM–O) bonding via electronic modulation suppresses transition metal dissolution and reinforces the layered oxide framework, contributing to exceptional electrochemical performance. Consequently, the NLMT cathode exhibits an outstanding capacity of 92.8 mA h g<sup>−1</sup> within 2.5–4.3 V at 5 C (865 mA g<sup>−1</sup>), with 87 % capacity retention over 200 cycles. Configured into a full cell, which achieves a competitive capacity of 107.7 mA h g<sup>−1</sup> at 0.1 C and retains 86.4 % capacity over 100 cycles at 0.5 C. This study validates co-doping as a potent strategy for significantly improving the long-term cyclability of layered oxide cathodes in SIBs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 877-885"},"PeriodicalIF":14.9,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996159","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}

引用次数: 0

Harnessing magnetic fields for oxygen electrocatalysis enhancement 利用磁场增强氧电催化

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-22 DOI: 10.1016/j.jechem.2025.07.087

Yafeng Bai , Wei Yuan , Pei Wang , Qing Liu , Xiaoqing Zhang , Simin Jiang , Bote Zhao , Yu Chen , Chenghao Yang

{"title":"Harnessing magnetic fields for oxygen electrocatalysis enhancement","authors":"Yafeng Bai , Wei Yuan , Pei Wang , Qing Liu , Xiaoqing Zhang , Simin Jiang , Bote Zhao , Yu Chen , Chenghao Yang","doi":"10.1016/j.jechem.2025.07.087","DOIUrl":"10.1016/j.jechem.2025.07.087","url":null,"abstract":"<div><div>Magnetic fields offer a non-invasive strategy to modulate oxygen electrocatalysis, but a clear and unified understanding of the underlying mechanisms still remains challenging. This review provides a systematic classification of magneto-electrocatalytic effects, including gas management engineering and reaction rate acceleration, and summarizes the latest research advancements in the field. In addition, this review offers a critical evaluation of prevailing mechanistic theories. Specifically, we highlight the inability of the magnetoresistance effect to account for the pronounced pH dependency of magnetic enhancement. Furthermore, we discuss in depth the ongoing debate surrounding the electron spin selectivity effect, questioning its universal validity. We also emphasize some key breakthroughs, particularly the relationship between domain wall elimination and enhanced catalytic activity. This review also addresses the critical experimental challenges of decoupling coexisting magnetic effects, emphasizing the necessary experimental procedures designed to distinguish macroscopic, magnetohydrodynamic-driven convection from intrinsic, spin-mediated kinetic enhancements. Finally, the future progresses are proposed, hinging on the strategic integration of magnetic fields with other external fields, like electric, photonic, or thermal fields, to unlock the novel catalytic pathways and precisely steer reaction selectivity and efficiency.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 670-700"},"PeriodicalIF":14.9,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144925688","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}

引用次数: 0

Modulating the desorption of *OH via coupling Cu-Co bimetallic catalyst for boosting oxygen reduction reaction 通过偶联Cu-Co双金属催化剂调节*OH的解吸促进氧还原反应

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-22 DOI: 10.1016/j.jechem.2025.08.022

Wenhai Wang , Nanzhe Li , Guohong Fan , Guoqiang Wen , Mingyue Wang , Shengxiang Chen , Jieyue Wang , Mingfu Ye , Fanghui Wu , Tao Gan , Konglin Wu

{"title":"Modulating the desorption of *OH via coupling Cu-Co bimetallic catalyst for boosting oxygen reduction reaction","authors":"Wenhai Wang , Nanzhe Li , Guohong Fan , Guoqiang Wen , Mingyue Wang , Shengxiang Chen , Jieyue Wang , Mingfu Ye , Fanghui Wu , Tao Gan , Konglin Wu","doi":"10.1016/j.jechem.2025.08.022","DOIUrl":"10.1016/j.jechem.2025.08.022","url":null,"abstract":"<div><div>Constructing efficient catalysts toward the oxygen reduction reaction (ORR) is pivotal for Zn-air batteries (ZABs). Herein, the in-situ generation of Cu-Co bimetal on hollow N-doped carbon (Cu-Co-NC) was achieved via a zeolitic-imidazolate framework (ZIF)-assisted strategy. The obtained Cu-Co-NC displays extraordinary ORR activity in both alkaline (half-wave potential: <em>E</em><sub>1/2</sub> = 0.851 V) and acidic electrolytes (<em>E</em><sub>1/2</sub> = 0.720 V), outperforming the majority of reported catalysts. Significantly, the emergence of related ORR intermediates on the surface of Cu-Co-NC was corroborated by in-situ attenuated total reflectance<em>-</em>surface-enhanced infrared absorption spectroscopy (ATR-SEIRAS) and in-situ Raman spectroscopy. Theoretical calculations unravel that introducing Cu-Co bimetal is in favor of tuning the rate-determining step of the desorption of hydroxyl intermediate (*OH), resulting in enhanced ORR performance. Furthermore, the ZAB with Cu-Co-NC demonstrates an astounding peak power density (201 mW cm<sup>−2</sup>) and promising stability (∼1000 h) with a low voltage gap (1.09 V) at room temperature. Specifically, even exposed to an ultra-low temperature (−40 °C), the ZAB based on Cu-Co-NC operates impressively. This work illustrates that the rational design of catalysts can significantly boost the performance of ZAB, which is rewarding to the widespread application of ZAB.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 904-913"},"PeriodicalIF":14.9,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145026916","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}

引用次数: 0

Dual-channel MOF enabling high-flux Li+ conduction and in situ LiI-rich SEI for high-performance solid-state lithium metal batteries 双通道MOF实现高通量Li+传导和原位富锂SEI，用于高性能固态锂金属电池

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-19 DOI: 10.1016/j.jechem.2025.08.019

Xingxing Zhang , Weihao Shi , Qingmei Su , Zemin He , Liming Wang , Xinglong Deng , Dequn Zhao , Rui Yan , Jinqi Chen , Hongli Chen , Zongcheng Miao , Wenhuan Huang

{"title":"Dual-channel MOF enabling high-flux Li+ conduction and in situ LiI-rich SEI for high-performance solid-state lithium metal batteries","authors":"Xingxing Zhang , Weihao Shi , Qingmei Su , Zemin He , Liming Wang , Xinglong Deng , Dequn Zhao , Rui Yan , Jinqi Chen , Hongli Chen , Zongcheng Miao , Wenhuan Huang","doi":"10.1016/j.jechem.2025.08.019","DOIUrl":"10.1016/j.jechem.2025.08.019","url":null,"abstract":"<div><div>Solid-state lithium metal batteries (SSLMBs) face critical challenges from dendrite growth and unstable interfaces. While composite polymer electrolytes (CPEs) offer promise, poor ionic conductivity (<10<sup>−5</sup> S cm<sup>−1</sup>), low Li<sup>+</sup> transference numbers (<em>t</em><sub>Li+</sub> < 0.5), and inadequate interfacial stability limit practical application. Herein, we design a dual-channel metal-organic framework (MOF)-based CPEs that simultaneously regulate ion transport and construct a high-conductivity interphase. This MOF features two distinct channels. The one imposes spatial confinement (0.57 nm in pore size) to suppress anion migration (TFSI<sup>−</sup>), while the other facilitates immobilizing TFSI<sup>−</sup> through iodine-mediated nucleophilic substitution. More importantly, the liberated I<sup>−</sup> reacts with Li<sup>+</sup> to in situ generate lithium iodide (LiI)-enhanced solid-electrolyte interphase (SEI), replacing insulating LiF-rich counterparts. This LiI-SEI exhibits superior ionic conductivity and homogenizes Li<sup>+</sup> flux to suppress dendrites. Integrated into a poly(vinylidene fluoride)-cohexafluoropropylene (PVDF-HFP) matrix, the MOF CPE achieves exceptional ionic conductivity (2.13×10<sup>−4</sup> S cm<sup>−1</sup>) and a high <em>t</em><sub>Li+</sub> of 0.95 (25 °C). Density functional theory and molecular dynamics calculations verify ion-regulation mechanisms. As a result, LiFePO<sub>4</sub>//Li cells retain 94.99% capacity after 800 cycles (1 C), while NCM811//Li cells demonstrate sustained stability over 200 cycles. This work provides valuable insights into the design of multifunctional MOF ionic conductors for high-performance SSLMBs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 756-766"},"PeriodicalIF":14.9,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144988737","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}

引用次数: 0

Volcano-type relationship between interfacial Pt–S bonds and oxygen reduction activity in sulfur-doped carbon-supported Pt3Co catalysts 硫掺杂碳负载Pt3Co催化剂中Pt-S键界面与氧还原活性的火山型关系

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-19 DOI: 10.1016/j.jechem.2025.08.014

Shuo Li , Jing Liu , Shengchang Li , Teng Fu , Yi Zong , Han Ding , Yecheng Zou , Yongming Zhang , Xuejing Cui , Xin Zhou , Luhua Jiang

{"title":"Volcano-type relationship between interfacial Pt–S bonds and oxygen reduction activity in sulfur-doped carbon-supported Pt3Co catalysts","authors":"Shuo Li , Jing Liu , Shengchang Li , Teng Fu , Yi Zong , Han Ding , Yecheng Zou , Yongming Zhang , Xuejing Cui , Xin Zhou , Luhua Jiang","doi":"10.1016/j.jechem.2025.08.014","DOIUrl":"10.1016/j.jechem.2025.08.014","url":null,"abstract":"<div><div>Pt-based nanoalloys, as the state-of-the-art oxygen reduction reaction (ORR) catalysts, still face significant challenges in terms of activity and long-term stability in proton-exchange membrane fuel cells (PEMFCs). Here, we report a dual-sulfur regulation strategy to achieve gradient regulation of the interfacial platinum–sulfur (Pt–S) bonds in sulfur-doped carbon-supported Pt<sub>3</sub>Co catalysts, revealing a volcano-type relationship between the ORR activity and the amount of interfacial Pt–S covalent bonds. The optimized Pt<sub>3</sub>Co-SH/S-C catalyst exhibits superior ORR performance with a half-wave potential (<em>E</em><sub>1/2</sub>) of 0.923 V, which is 23 mV higher than that of the commercial Pt/C, and remarkable stability, with only a 3 mV decrease in <em>E</em><sub>1/2</sub> after 80,000 cycles of accelerated durability testing (ADT). Furthermore, the Pt<sub>3</sub>Co-SH/S-C cathode-based membrane electrode assembly (MEA) could deliver a peak power density of 1.15 W cm<sup>−2</sup> in H<sub>2</sub>-O<sub>2</sub> mode at 90 °C with exceptional durability. Theoretical calculations reveal that interfacial Pt–S covalent bonds cause a downward shift of the Pt <em>d</em>-band center, as compared to that in Pt<sub>3</sub>Co, alleviating the excessive adsorption of *OH and thus enhancing ORR kinetics. This work establishes a new paradigm for tailoring metal-support interactions via interfacial bonding engineering, providing a rational strategy for designing durable high-performance ORR catalysts for PEMFCs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 728-736"},"PeriodicalIF":14.9,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144988736","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}

引用次数: 0

Synergistic charge-regulation of Fe-N4O1 sites coupled with MnO2 clusters via dual-ligand effect for enhanced oxygen reduction reaction 双配体效应下Fe-N4O1位点与MnO2簇耦合的协同电荷调控增强氧还原反应

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-19 DOI: 10.1016/j.jechem.2025.07.086

Chaoyang Shi , Guangtao Luo , Danyang Wei, Haodong Jin, Linxiang Zhou, Haoqi Li, Mingli Xu

{"title":"Synergistic charge-regulation of Fe-N4O1 sites coupled with MnO2 clusters via dual-ligand effect for enhanced oxygen reduction reaction","authors":"Chaoyang Shi , Guangtao Luo , Danyang Wei, Haodong Jin, Linxiang Zhou, Haoqi Li, Mingli Xu","doi":"10.1016/j.jechem.2025.07.086","DOIUrl":"10.1016/j.jechem.2025.07.086","url":null,"abstract":"<div><div>It is challenging to rationally construct synergistic charge-regulation of active sites and a lower energy barrier of the determining step for efficient oxygen reduction reaction (ORR). In this work, a novel catalyst (MnO<sub>2</sub>)<sub>cluster</sub>/Fe,Mn-N-C with Fe-N<sub>4</sub>O<sub>1</sub> site coupled by MnO<sub>2</sub> sub-nanometer clusters was successfully synthesized, which is attributed to the dicyanodiamine-glycine (DCD-Gly) dual-ligand effect. Specifically, the higher electrophilic index and the preferential coordination with Fe of N in DCD, and the chelating coordination of Gly with Mn. Experimental and theoretical calculation results indicate that preferential coordination of Fe with N atoms in DCD generates Fe-N<sub>4</sub>O<sub>1</sub> sites with axial oxygen coordination, while the coordination of Mn with Gly generates a large number of MnO<sub>2</sub> sub-nanometer clusters. DFT calculations showed that axial oxygen altered the reaction-determining step of ORR at the FeN<sub>4</sub>O<sub>1</sub> site. Meanwhile, the MnO<sub>2</sub> sub-nanoclusters further lowered the adsorption energy barriers of the reaction intermediates. This synergistic charge-regulation improved the ORR performance of (MnO<sub>2</sub>)<sub>cluster</sub>/Fe,Mn-N-C (<em>E</em><sub>1/2</sub> = 0.90 V). Meanwhile, (MnO<sub>2</sub>)<sub>cluster</sub>/Fe,Mn-N-C catalyst also exhibits a discharge power density of 201 mW cm<sup>−2</sup> in Zn-air batteries, which was much higher than the commercial Pt/C+RuO<sub>2</sub>. The strategy of ligand effect-driven construction provided a new idea for the electronic structure modulation of a monatomic catalyst.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 701-710"},"PeriodicalIF":14.9,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932850","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}

引用次数: 0

Fuzzy physics-informed thermal diagnostics via non-invasive frequency-domain signature distillation in high-energy-density batteries 基于非侵入性频域特征蒸馏的高能量密度电池热诊断

IF 14.9 1区化学

Journal of Energy Chemistry Pub Date : 2025-08-19 DOI: 10.1016/j.jechem.2025.08.018

Zhenkang Lin, Jing Yang, Chunyu Li, Shilong Wang, Wenzhong Cong, Teng Li, Lin Qi, Kening Sun, Cheng Fan

{"title":"Fuzzy physics-informed thermal diagnostics via non-invasive frequency-domain signature distillation in high-energy-density batteries","authors":"Zhenkang Lin, Jing Yang, Chunyu Li, Shilong Wang, Wenzhong Cong, Teng Li, Lin Qi, Kening Sun, Cheng Fan","doi":"10.1016/j.jechem.2025.08.018","DOIUrl":"10.1016/j.jechem.2025.08.018","url":null,"abstract":"<div><div>Accurate real-time monitoring of internal temperature in lithium-ion batteries remains critical for preventing thermal runaway, as conventional approaches sacrifice either computational efficiency or cross-scenario robustness. We present a generalized fuzzy physics-informed framework that distills thermally sensitive electrochemical processes while circumventing redundant physical constraints, thereby establishing an explicit mechanism-constrained mapping between frequency-domain signals and internal temperature. This framework facilitates online thermal estimation, with dynamic validations in LiFePO<sub>4</sub>/graphite 18650-type cells confirming real-time capability with near-instantaneous acquisition (∼6 s per measurement), exceptional accuracy (±0.5 °C) within the operational temperature range (30–50 °C), and operational resilience across 20 %–80 % state-of-charge. The framework maintains predictive fidelity (±1.0 °C at 30 °C and ±4.0 °C at 60 °C, 95 % prediction intervals) across 80 %–100 % state-of-health while demonstrating adaptability to cathode materials and structural architectures. This strategy resolves the competing imperatives of physical interpretability, computational efficiency, and cross-scenario generalizability, offering a universal paradigm for embedded thermal management in safety-critical applications.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"111 ","pages":"Pages 856-866"},"PeriodicalIF":14.9,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996154","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}

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