Journal of Electroanalytical Chemistry最新文献_第6页

Co&Mo bimetallic oxides derived from polyoxometalates (CoMo6) towards hydrogen evolution reaction 由多金属氧酸盐（CoMo6）向析氢反应生成Co&Mo双金属氧化物

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-05-02 DOI: 10.1016/j.jelechem.2025.119171

Yiyi Zhang , Mei Wu , Wenhui Shang , Manyu Liu , Yan Jiang , Juan Gao , Huan He , Zhiyu Jia

{"title":"Co&Mo bimetallic oxides derived from polyoxometalates (CoMo6) towards hydrogen evolution reaction","authors":"Yiyi Zhang , Mei Wu , Wenhui Shang , Manyu Liu , Yan Jiang , Juan Gao , Huan He , Zhiyu Jia","doi":"10.1016/j.jelechem.2025.119171","DOIUrl":"10.1016/j.jelechem.2025.119171","url":null,"abstract":"<div><div>Engineering platinum-free catalysts with high activity and stability is essential for electrocatalytic hydrogen evolution reaction (HER). In this work, polyoxometalates-derived Mo-based oxide materials Co-Mo<sub>4</sub>O<sub>11</sub>-MoO<sub>2</sub>/rGO@X (abbreviated as Co-MoO/rGO@X, where X represents the synthesis temperature of 300, 400, 500 and 600 °C) were designed and synthesized on a nickel foam for HER under alkaline conditions. The Co-MoO/rGO@500 sample exhibited excellent HER catalytic activity, including an overpotential of 42 mV at a current density of 10 mA cm<sup>−2</sup>, a Tafel slope of 85.6 mV dec<sup>−1</sup>, and excellent long-term stability, due to its high intrinsic activity and superior conductivity. The layered structure of the Co-MoO/rGO@500 reveals a greater number of active sites and provides an abundant supply of oxygen vacancies, which significantly enhance the electrocatalytic activity. The incorporation of cobalt-doped molybdenum oxide in this study, along with the introduction of reduced graphene oxide (rGO), synergistically enhances the HER properties.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"990 ","pages":"Article 119171"},"PeriodicalIF":4.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143918083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Modulation of the electrocatalyzed water-splitting properties of electropolymerized-A2B type co(III) meso-dithien-2-ylcorroles with push-pull properties 具有推挽性质的电聚合- a2b型co（III）中二硫代-2-酰基衍生物的电催化水裂解性能的调节

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-05-01 DOI: 10.1016/j.jelechem.2025.119157

Yunlong Pan , Xiaohong Zhang , Xifeng Zhang , Weihua Zhu , John Mack , Tebello Nyokong , Xu Liang

{"title":"Modulation of the electrocatalyzed water-splitting properties of electropolymerized-A2B type co(III) meso-dithien-2-ylcorroles with push-pull properties","authors":"Yunlong Pan , Xiaohong Zhang , Xifeng Zhang , Weihua Zhu , John Mack , Tebello Nyokong , Xu Liang","doi":"10.1016/j.jelechem.2025.119157","DOIUrl":"10.1016/j.jelechem.2025.119157","url":null,"abstract":"<div><div>A series of four A<sub>2</sub>B type co(III) <em>meso</em>-dithien-2-ylcorroles <strong>3a-d</strong> with differing push-pull properties due to the electron-donating (D) and/or electron-withdrawing (a) moieties properties of the <em>meso</em>-aryl rings introduced at the B position were synthesized and characterized. Upon the economical and facile electropolymerization of the <em>meso</em>-thien-2-yl rings to form polymers with bridging dithiophene moieties (<strong>poly-3a-d</strong>), <strong>poly-3b-d</strong> with electron-donating or -withdrawing <em>meso</em>-aryl groups at the B position exhibited significantly enhanced, tunable and stable electrocatalyzed water-splitting performances in acidic, alkaline and simulated seawater aqueous media<strong>. Poly-3c</strong>, with a <em>p</em>-nitrophenyl ring at the B position and a push-pull “D-A\" structure, exhibits the most favorable electrocatalytic performances for the hydrogen and oxygen evolution reactions at the cathode and anode due to an enhancement of internal charge transfer across the π-extended conjugation system</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119157"},"PeriodicalIF":4.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143901980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Strongly coordinated synthesis of high-loading Ta2O5-supported Ru-Fe-Ni single-atom electrocatalyst with enhanced catalytic performance for urea synthesis via multifunctional graphene quantum dot integration 通过多功能石墨烯量子点集成强协同合成高负载ta2o5负载的Ru-Fe-Ni单原子电催化剂，增强了尿素合成的催化性能

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-29 DOI: 10.1016/j.jelechem.2025.119163

Li Ruiyi, Zhang Qingqing, Li Xiaosuan, Li Nana, Liu Xiaohao, Li Zaijun

{"title":"Strongly coordinated synthesis of high-loading Ta2O5-supported Ru-Fe-Ni single-atom electrocatalyst with enhanced catalytic performance for urea synthesis via multifunctional graphene quantum dot integration","authors":"Li Ruiyi, Zhang Qingqing, Li Xiaosuan, Li Nana, Liu Xiaohao, Li Zaijun","doi":"10.1016/j.jelechem.2025.119163","DOIUrl":"10.1016/j.jelechem.2025.119163","url":null,"abstract":"<div><div>Industrial application of oxide-supported single atom catalysts remains many challenges, including poor economic feasibility, insufficient catalytic activity, limited electrical conductivity, and lack of functional diversity. The study reports a coordination-driven synthesis strategy for fabricating tantalum pentoxide-supported ruthenium‑iron‑nickel single atom electrocatalyst (Ru-Fe-Ni/Ta<sub>2</sub>O<sub>5</sub>@DHB-GQD) through metal ion coordination with aspartic acid and histidine-functionalized boron-doped graphene quantum dot (DHB-GQD), followed by controlled annealing. The resulting Ru-Fe-Ni/ Ta<sub>2</sub>O<sub>5</sub>@DHB-GQD offers atomic dispersion of Ru, Fe, and Ni on Ta<sub>2</sub>O<sub>5</sub> with high metal loading of 5.6 wt%. Ta<sub>2</sub>O<sub>5</sub> substrate features unique shear-structure with interconnected tunnels, enabling catalytic reactions to proceed simultaneously on the nanocrystal surfaces and within tunnel walls. Integration of DHB-GQD with Ru, Fe and Ni optimizes tunnel structure, reduces bandgap by 0.8 eV, and establishes efficient electron transfer pathways. Compared to pristine Ta<sub>2</sub>O<sub>5</sub>, engineered catalyst exhibits an enhancement in electrochemical active surface area (>4-fold), electrical conductivity (>53-fold), and K<sup>+</sup> diffusion efficiency (>1564-fold). Experimental analyses coupled with density functional theory calculation demonstrates that trimetallic synergy of Ru, Fe and Ni significantly improves the catalytic activity and selectivity for reduction of NO<sub>3</sub><sup>−</sup> and CO<sub>2</sub> into urea. The Ru-Fe-Ni/ Ta<sub>2</sub>O<sub>5</sub>@DHB-GQD electrocatalyst achieves urea yield of 73.86 mmol g<sup>−1</sup> h<sup>−1</sup> with Faradaic efficiency of 48.5 %, surpassing previously reported counterparts.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"990 ","pages":"Article 119163"},"PeriodicalIF":4.1,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Aqueous electrocatalytic properties of nitrogen-doped carbon electrodes synthetized by innovative electrochemical process in molten NaCl-KCl 创新电化学工艺合成的氮掺杂碳电极在NaCl-KCl熔液中的水电催化性能

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-29 DOI: 10.1016/j.jelechem.2025.119162

Carole Barus, Laurent Massot

引用次数: 0

Synergistic doping strategy for enhancing the electrochemical performance of NCM811 cathodes using B, Zr, and Ti B、Zr和Ti协同掺杂提高NCM811阴极电化学性能的策略

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-29 DOI: 10.1016/j.jelechem.2025.119161

Yuanzhe Zhao , Ru Li , Hang Xiao , Ping Li , Dongbin Qiao , Zhenzhen Wang , Yan Liu , Qingshan Huang

{"title":"Synergistic doping strategy for enhancing the electrochemical performance of NCM811 cathodes using B, Zr, and Ti","authors":"Yuanzhe Zhao , Ru Li , Hang Xiao , Ping Li , Dongbin Qiao , Zhenzhen Wang , Yan Liu , Qingshan Huang","doi":"10.1016/j.jelechem.2025.119161","DOIUrl":"10.1016/j.jelechem.2025.119161","url":null,"abstract":"<div><div>Element doping is one of the practical methods to solve the defects of nickel-rich ternary materials with poor structure stability, fast capacity decay, and poor rate performance. Three elements of B, Zr, and Ti were applied here to modify the commercial precursor NCM811 using a one-step solid-phase method. The optimal sintering temperature, duration, and elemental ratios for the single-element doping were systematically investigated. Furthermore, the synergistic effect of ternary doping with B, Zr, and Ti on the cathode crystal structure and electrochemical performance were explored at different doping ratios based on their original optimal adding amounts. It was found that the optimized amounts of three-element co-doping were only 1/10 of their optimal ratios for single-element doping. The optimal multi-element doping sample exhibited superior rate performance, and the discharged capacity can reach 1.64 times that of their individual superimposed counterparts at 5C. The potential mechanism of the synergistic modification is that excessive accumulation of doping elements can form a barrier to weaken the kinetics of lithium-ion diffusion, and some competitive influences rather than complete superimposed effects play an important role in multi-element co-modification. Therefore, a particular perspective on multi-element doping was proposed here to address the shortcomings of nickel-rich cathode materials, providing some guidance for commercial cathode material modification.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119161"},"PeriodicalIF":4.1,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Hybrid charge storage mechanism in binder-free ultrathin siloxene nanosheets-based high voltage supercapacitor 无粘结剂超薄硅氧烷纳米片高压超级电容器的混合电荷存储机制

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-28 DOI: 10.1016/j.jelechem.2025.119158

Priyanka Rani , Riya Sadhukhan , Rajdeep Banerjee , Anupam Midya , Dipak K. Goswami

{"title":"Hybrid charge storage mechanism in binder-free ultrathin siloxene nanosheets-based high voltage supercapacitor","authors":"Priyanka Rani , Riya Sadhukhan , Rajdeep Banerjee , Anupam Midya , Dipak K. Goswami","doi":"10.1016/j.jelechem.2025.119158","DOIUrl":"10.1016/j.jelechem.2025.119158","url":null,"abstract":"<div><div>Approaches for understanding the significance of the appropriate combination of electrode-electrolyte systems on the electrochemical behavior of electrodes and charge storage mechanism inside the supercapacitor are a prerequisite for effective and stable energy storage devices. Herein, low-cost devices were fabricated using binder-free siloxene nanosheets with aprotic and protic electrolytes to study the charge storage behavior of the supercapacitors. This study demonstrates that the novel combination of binder-free two –dimensional siloxene electrode with PVA/H<sub>3</sub>PO<sub>4</sub> gel electrolyte provides a high specific capacitance of 13.15 mF/cm<sup>2</sup> with ∼98 % capacitance retention over 10,000 cycles. Additionally, it has a wide operating potential window (+4 V to –4 V), which increases the device's energy density and appeals to high-voltage applications. This improvement is attributed to the hybrid (capacitive and diffusive) charge storage mechanism which resulted from synergistic effects between the functional groups on the surface of siloxene nanosheets and H<sup>+</sup> ions from protonated gel electrolytes. This work broadens the new perception toward developing cost-effective and lightweight hybrid energy storage devices using a synergistic electrode-electrolyte system for real-world applications.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"990 ","pages":"Article 119158"},"PeriodicalIF":4.1,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Boosting Li-storage performance of LiMn0.5Fe0.5PO4/C cathode via Zn-mediated lattice modulation 通过zn介导晶格调制提高LiMn0.5Fe0.5PO4/C阴极的锂存储性能

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-28 DOI: 10.1016/j.jelechem.2025.119160

Zhiying Ding , Hua Zhang , Gaoqiang Mao , Bochuan Deng , Haiyan Cai , Hui Tong , Wan-Jing Yu

{"title":"Boosting Li-storage performance of LiMn0.5Fe0.5PO4/C cathode via Zn-mediated lattice modulation","authors":"Zhiying Ding , Hua Zhang , Gaoqiang Mao , Bochuan Deng , Haiyan Cai , Hui Tong , Wan-Jing Yu","doi":"10.1016/j.jelechem.2025.119160","DOIUrl":"10.1016/j.jelechem.2025.119160","url":null,"abstract":"<div><div>LiMn<sub>0.5</sub>Fe<sub>0.5</sub>PO<sub>4</sub> is regarded as a cathode material with extensive potential for lithium-ion batteries (LIBs), offering advantages such as excellent safety characteristics, cost-effective production, and co-friendly attributes. However, the inherent slow conductivity and manganese ion dissolution pose challenges to its commercial viability. To overcome these limitations, cation doping strategies can significantly improve material performance by enhancing crystal structure stability, improving electronic conductivity, and facilitating Li-ion transport. Herein, a citric acid-assisted sol-gel technique has been employed to perform Zn<sup>2+</sup> doping at the Fe<sup>2+</sup> site of LiMn<sub>0.5</sub>Fe<sub>0.5</sub>PO<sub>4</sub>/C. Our experimental investigations reveal that Zn<sup>2+</sup> mitigates the structural collapse caused by volume expansion and lattice distortion at charging-discharging cycles, thereby enhancing the structural stability of the material. Additionally, DFT computations were performed to evaluate the impact of Zn<sup>2+</sup> doping on the density of states, the trace amount of zinc doping can enhance electronic transmission capability and mitigate the intensity of Jahn-Teller distortion, then reinforcing our experimental observations. Notably, the doped LiMn<sub>0.5</sub>Fe<sub>0.49</sub>Zn<sub>0.01</sub>PO<sub>4</sub>/C cathode exhibits exceptional discharge capacity of 116.5 mAh g<sup>−1</sup> even at 10C, alongside boasting remarkable long-term cyclic stability with only about decay of 5.05 % capacity retention after undergoing 300 cycles at 1C. This strategic design offers an efficient solution to enhance the characteristics of lithium manganese iron phosphate cathode material, making it more suitable for high-performance LIB applications.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119160"},"PeriodicalIF":4.1,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

NiS2@NiOOH/CNT hybrid as robust catalyst for oxygen evolution reaction NiS2@NiOOH/CNT杂化物作为析氧反应的稳健催化剂

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-28 DOI: 10.1016/j.jelechem.2025.119159

Zhanyu Ding , Yu Ma , Xuanhao Zhang , Rizwan Haider , Qiqi Jiao , Jiemei Yu , Yanlu Mu , Taizhong Huang , Xianxia Yuan

{"title":"NiS2@NiOOH/CNT hybrid as robust catalyst for oxygen evolution reaction","authors":"Zhanyu Ding , Yu Ma , Xuanhao Zhang , Rizwan Haider , Qiqi Jiao , Jiemei Yu , Yanlu Mu , Taizhong Huang , Xianxia Yuan","doi":"10.1016/j.jelechem.2025.119159","DOIUrl":"10.1016/j.jelechem.2025.119159","url":null,"abstract":"<div><div>Development of non-precious metal-based oxygen evolution reaction (OER) catalysts is essential for commercial scale electrochemical water splitting. In this paper, a carbon nanotube (CNT), which can enhance the conductivity of the catalyst, supported nickel sulfide (NiS<sub>2</sub>) and nickel oxyhydroxide (NiOOH) hybrid (NiS<sub>2</sub>@NiOOH/CNT) based catalyst is prepared. The in-situ conversion of partial NiS<sub>2</sub> to NiOOH not only increased the active catalytic sites but also decreased the OER overpotential to 195 mV at the current intensity of 10 mA/cm<sup>2</sup>. The long-time running stability test results showed that the current density almost no losses detected after 10 h continuous operation at a fixed potential of 1.61 V (vs. RHE) in 1 M KOH. The density functional theory (DFT) calculations proved that the NiS<sub>2</sub>@NiOOH/CNT catalyzed OER follows the lattice‑oxygen-mediated (LOM) mechanism, which illustrated the mechanism for the high catalytic performance for OER. This paper provides a novel way to design high performance electrocatalysts for OER from nickel based materials.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119159"},"PeriodicalIF":4.1,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Al3+-doped Fe3Se4 anchored on MXene: A novel composite anode for high-capacity and stable potassium-ion batteries MXene锚定Al3+掺杂Fe3Se4：一种新型高容量稳定钾离子电池复合阳极

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-26 DOI: 10.1016/j.jelechem.2025.119156

Lei Dong , Ziqi Luo , Jiahan Ma , Jiacheng Qiu , Yue Wu , Liwen Fan , Dejun Li , Jianmin Feng , Huifen Peng

{"title":"Al3+-doped Fe3Se4 anchored on MXene: A novel composite anode for high-capacity and stable potassium-ion batteries","authors":"Lei Dong , Ziqi Luo , Jiahan Ma , Jiacheng Qiu , Yue Wu , Liwen Fan , Dejun Li , Jianmin Feng , Huifen Peng","doi":"10.1016/j.jelechem.2025.119156","DOIUrl":"10.1016/j.jelechem.2025.119156","url":null,"abstract":"<div><div>Potassium-ion batteries (PIBs) have emerged as a promising alternative to lithium-ion batteries due to the abundant availability of potassium resources and cost-effectiveness, yet their practical application remains hindered by anode material challenges such as substantial volume expansion, sluggish kinetics, and poor cycling stability. This study addresses these limitations through a synergistic design combining Al<sup>3+</sup> doping with MXene substrate engineering, resulting in a novel Al-Fe<sub>3</sub>Se<sub>4</sub>/MXene composite anode. The hierarchical urchin-like Al-Fe<sub>3</sub>Se<sub>4</sub> nanostructure was synthesized via a solvothermal method and subsequently anchored on a two-dimensional V<sub>2</sub>C MXene matrix. Comprehensive characterization (XRD, XPS, SEM/TEM) confirmed successful Al<sup>3+</sup>-doping-induced crystal structure modulation and effective MXene integration. Electrochemical evaluations demonstrated superior performance with a high reversible capacity of 386.9 mAh g<sup>−1</sup> at 0.1 A g<sup>−1</sup> and 73.1 % capacity retention after 200 cycles, the electrochemical performance is significantly superior to that of Fe<sub>3</sub>Se<sub>4</sub> materials comparable. Mechanism analysis revealed that Al<sup>3+</sup> doping enhances structural stability while the MXene conductive network facilitates charge transfer kinetics. This work innovatively employs a dual modification strategy that synergistically combines cation doping and conductive substrate engineering, providing valuable insights for developing high-performance PIB anodes. The proposed method offers a novel approach to the design of electrode materials, which holds significant practical implications for the development of next-generation energy storage systems.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119156"},"PeriodicalIF":4.1,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Electrocatalytic reduction of N2 for ammonia synthesis by single-atom catalysts based on two-dimensional azulenocyanine monolayers 基于二维azulenocyanine单层的单原子催化剂电催化还原N2合成氨

IF 4.1 3区化学

Journal of Electroanalytical Chemistry Pub Date : 2025-04-25 DOI: 10.1016/j.jelechem.2025.119151

Xiaolin Wang , Zhibo Zheng , Zhuoyue Sun , Shenghai Zhang , Shaowei Jin , Debing Long , Jintao Wang

{"title":"Electrocatalytic reduction of N2 for ammonia synthesis by single-atom catalysts based on two-dimensional azulenocyanine monolayers","authors":"Xiaolin Wang , Zhibo Zheng , Zhuoyue Sun , Shenghai Zhang , Shaowei Jin , Debing Long , Jintao Wang","doi":"10.1016/j.jelechem.2025.119151","DOIUrl":"10.1016/j.jelechem.2025.119151","url":null,"abstract":"<div><div>In this paper, we systematically investigate the potential of a series of transition metal atoms embedded in two-dimensional azulenocyanine monolayer to form TM@Az as single-atom catalysts for electrocatalytic N<sub>2</sub> reduction to NH<sub>3</sub> (NRR) through first-principles calculations. Thermodynamic and electrochemical stabilities of these materials are studied to evaluate their stability, and the high-throughput screening method is used to screen out the potential candidate of Mo@Az. The detailed reaction mechanism of Mo@Az indicates that the first protonation step is the potential-determining step (PDS) with the limiting potential of −0.53 V. Then, the charge density differences, spin density, charge changes, electronic properties, and selectivity are explored. Notably, the Mo@Az demonstrates the high selectivity toward electrocatalytic nitrogen reduction reaction. We hope that this study can open a door for the development of azulenocyanine materials in the field of catalysis. Additionally, it is anticipated that our research will offer valuable insights and references for designing and developing single-atom catalysts toward electrochemical reduction of N<sub>2</sub> to NH<sub>3</sub>.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119151"},"PeriodicalIF":4.1,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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