ACS Applied Energy Materials最新文献

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Inhibiting the Structural Degradation of P2-Type Cobalt-Free Layered Transition Metal Oxides by Chromium Doping for Improved Lithium-Ion Batteries 改进锂离子电池用铬掺杂抑制p2型无钴层状过渡金属氧化物的结构降解
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-28 DOI: 10.1021/acsaem.4c0315110.1021/acsaem.4c03151
Guofeng Jia, Hongrun Qiu, Jiaqi Meng, Long Li*, Shiyu Yang, Lijuan Zhang, Jianwei Li, Fayan Zhu and Min Wang*, 
{"title":"Inhibiting the Structural Degradation of P2-Type Cobalt-Free Layered Transition Metal Oxides by Chromium Doping for Improved Lithium-Ion Batteries","authors":"Guofeng Jia,&nbsp;Hongrun Qiu,&nbsp;Jiaqi Meng,&nbsp;Long Li*,&nbsp;Shiyu Yang,&nbsp;Lijuan Zhang,&nbsp;Jianwei Li,&nbsp;Fayan Zhu and Min Wang*,&nbsp;","doi":"10.1021/acsaem.4c0315110.1021/acsaem.4c03151","DOIUrl":"https://doi.org/10.1021/acsaem.4c03151https://doi.org/10.1021/acsaem.4c03151","url":null,"abstract":"<p >The conventional P2-type cathode material suffers from irreversible structural degradation, lattice-oxygen release, and severe capacity fading at the high-charge state during cycling. This study systematically investigates the failure mechanisms associated with the structural evolution and oxygen loss of LiNi<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>2</sub> in the high-charge state while also revealing the positive impact of Cr doping. Cr substitution in the lithium layer increases the proportion of lattice-oxygen content, lowers the oxygen activation plateau during the first cycle, and restrains structural degradation during cycling. These improvements are attributed to the high degree of delocalized Mn–O bonds caused by robust Cr–O covalency. As a result, an extraordinarily stable voltage (decay rate &lt;0.76 mV per cycle) and a high capacity-retention rate are achieved. Insights into the structural stability of LiNi<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>2</sub> in a high-charge state provide valuable guidance for designing and optimizing Co-free layered cathode materials with enhanced performance.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"5645–5655 5645–5655"},"PeriodicalIF":5.4,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural and Chemical Changes in Si Nanoparticle-Based Anodes in Lithium-Ion Batteries during the (De)lithiation Processes Studied by In Situ Raman Spectroelectrochemistry. 原位拉曼光谱电化学研究了锂离子电池纳米硅阳极在(去)锂化过程中的结构和化学变化。
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-28 eCollection Date: 2025-05-12 DOI: 10.1021/acsaem.5c00066
Zuzana Vlčková Živcová, Farjana J Sonia, Martin Jindra, Martin Müller, Jiří Červenka, Antonín Fejfar, Otakar Frank
{"title":"Structural and Chemical Changes in Si Nanoparticle-Based Anodes in Lithium-Ion Batteries during the (De)lithiation Processes Studied by In Situ Raman Spectroelectrochemistry.","authors":"Zuzana Vlčková Živcová, Farjana J Sonia, Martin Jindra, Martin Müller, Jiří Červenka, Antonín Fejfar, Otakar Frank","doi":"10.1021/acsaem.5c00066","DOIUrl":"https://doi.org/10.1021/acsaem.5c00066","url":null,"abstract":"<p><p>Nanostructured silicon is considered one of the most attractive anode materials for high-energy-density Li-ion batteries (LIBs) because it can provide a high capacity and extended cycle life compared to bulk Si anodes. However, little is known about the electrochemical lithiation mechanism in nanosilicon due to the lack of suitable measurement techniques. In this study, nanostructured anodes based on Si nanoparticles (approximately 6 nm) integrated within a conductive carbon-based matrix are studied by an in situ Raman spectroelectrochemical (SEC) method in modified coin cells in LIBs. Additionally, cyclic voltammetry and galvanostatic charge-discharge cycling are used to determine the stability of the solid electrolyte interphase (SEI) layer and the long-term capacity degradation of the Si nanoparticle-based anodes. The in situ Raman SEC provides unique insight into the crystal lattice changes and degradation/amorphization pathways of the Si nanocrystals and the electrolyte (LiPF<sub>6</sub> in EC/DMC) decomposition during the electrochemical lithiation and delithiation processes. The evolution of the spectral parameters (shift, line width, intensity) of the first-order Raman peak of crystalline Si at 520 cm<sup>-1</sup> is found to be related to the stress buildup in the nanoparticles. This stress originates from the (i) SEI layer formation on the electrode surface within the initial charge/discharge cycle, (ii) the lithiation-induced stress in Si nanoparticles and the native oxide on their surface, and also (iii) the progressive crystalline-to-amorphous Si phase transition. The structural changes in the anodes determined using in situ Raman SEC show good agreement with the results obtained from cyclic voltammetry measurements, revealing a progressive crystalline-to-amorphous Si phase transition and a complex energy storage mechanism in nanostructured silicon anodes in LIBs.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"5729-5737"},"PeriodicalIF":5.4,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12076281/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144074871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical Study on High-Entropy Oxyfluoride Cathodes for Sodium-Ion Batteries 钠离子电池用高熵氟化氧阴极的理论研究
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-28 DOI: 10.1021/acsaem.5c0003510.1021/acsaem.5c00035
Khorsed Alam, Akanksha Joshi, Amreen Bano, Malachi Noked and Dan Thomas Major*, 
{"title":"Theoretical Study on High-Entropy Oxyfluoride Cathodes for Sodium-Ion Batteries","authors":"Khorsed Alam,&nbsp;Akanksha Joshi,&nbsp;Amreen Bano,&nbsp;Malachi Noked and Dan Thomas Major*,&nbsp;","doi":"10.1021/acsaem.5c0003510.1021/acsaem.5c00035","DOIUrl":"https://doi.org/10.1021/acsaem.5c00035https://doi.org/10.1021/acsaem.5c00035","url":null,"abstract":"<p >High-entropy (HE) materials comprise a family of emerging solid-state materials, where multiple elements can occupy the same lattice positions and therefore enhance the configurational entropy. HE oxides (HEOs) can mitigate challenges facing layered cathode materials, such as capacity fading, and facilitate long-term cyclability. However, the mechanism behind the effect of HE on electrochemical properties is still poorly understood. In the current work, we employed classical force field and first-principles density functional theory (DFT) calculations to gain atomistic-level understanding of the thermodynamic and electrochemical features of a family of recently developed high-entropy oxyfluoride (HEO-F) cathode materials with the general formula Na<sub><i>x</i></sub>Li<sub>1–<i>x</i></sub>MO<sub>1.9</sub>F<sub>0.1</sub> (M ∈ Ni, Fe, Mn, Ti, Mg; <i>x</i> = 1.0, 0.9, 0.8). We used Monte Carlo simulated annealing (MCSA) in conjunction with classical force fields to determine the most favorable atomic arrangement within these high-entropy oxyfluorides. Subsequently, we conducted DFT calculations at different sodium concentrations during charging, analyzing the oxidation states, Bader charges, and partial density of states of the transition metal (TM) atoms, to elucidate their participation in the redox processes. Crystal orbital Hamilton population (COHP) calculations were performed to assess the strength of the metal–oxygen bonds, which are crucial for the cathode stability. Furthermore, we investigated the potential occurrence of antisite defects, involving cation exchange between Li and TM atoms. Analyses of all three compositions of Na<sub><i>x</i></sub>Li<sub>1–<i>x</i></sub>MO<sub>1.9</sub>F<sub>0.1</sub> (<i>x</i> = 1.0, 0.9, 0.8) suggest that the Na<sub>0.9</sub> system exhibits superior electrochemical properties, in agreement with experiments. We identified key factors that can contribute to this superior performance, including (1) low crystal lattice variation during cycling, (2) enhanced electronic conductivity, (3) optimal charge balancing among transition metal atoms at high desodiation, (4) strong metal–oxygen bonding, and (5) limited occurrence of energetically unfavorable antisite defects.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"5708–5720 5708–5720"},"PeriodicalIF":5.4,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solid-State Approach to Bimetallic IrRu/C Catalysts Tuning toward Boosted Oxygen Evolution in Acidic Media 双金属IrRu/C催化剂在酸性介质中加速析氧的固态研究
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-28 DOI: 10.1021/acsaem.5c0030710.1021/acsaem.5c00307
Ebrahim Sadeghi, Se Yun Kim, Per Morgen, Søren Bredmose Simonsen, Martin A. B. Hedegaard, Raghunandan Sharma* and Shuang Ma Andersen*, 
{"title":"Solid-State Approach to Bimetallic IrRu/C Catalysts Tuning toward Boosted Oxygen Evolution in Acidic Media","authors":"Ebrahim Sadeghi,&nbsp;Se Yun Kim,&nbsp;Per Morgen,&nbsp;Søren Bredmose Simonsen,&nbsp;Martin A. B. Hedegaard,&nbsp;Raghunandan Sharma* and Shuang Ma Andersen*,&nbsp;","doi":"10.1021/acsaem.5c0030710.1021/acsaem.5c00307","DOIUrl":"https://doi.org/10.1021/acsaem.5c00307https://doi.org/10.1021/acsaem.5c00307","url":null,"abstract":"<p >Metallic iridium (Ir) and ruthenium (Ru) are among the most active OER electrocatalysts in acidic media. Alloying Ir and Ru can enhance catalytic performance while reducing costs. Here, we introduce a scalable solid-state synthesis method to produce nanostructured IrRu semialloy on a high-porosity carbon substrate for efficient OER. This thermal-based approach offers a straightforward and cost-effective alternative to conventional methods and, therefore, eliminates complex procedures, organic solvents, and capping agents while ensuring fine nanoparticle (NP) dispersion. Electrochemical studies show that Ru-rich samples achieve high initial activity, while Ir-rich samples demonstrate superior stability in 0.1 M HClO<sub>4</sub>. Notably, Ir<sub>0.5</sub>Ru<sub>0.5</sub>/C and Ir<sub>0.25</sub>Ru<sub>0.75</sub>/C electrodes achieved mass activities of 1605 and 2494 A g<sub>metal</sub><sup>–1</sup> at 1.65 V (versus RHE)., respectively. Among them, Ir<sub>0.5</sub>Ru<sub>0.5</sub>/C retained 70% of its initial OER performance, outperforming commercial IrO<sub>2</sub> (53%) and other as-prepared catalysts in terms of stability. HAADF-STEM analysis revealed that Ir<sub>0.5</sub>Ru<sub>0.5</sub>/C has the finest particle size distribution, with the highest fraction of sub-2 nm NPs. Theoretical calculations confirmed that *–OOH formation is the rate-determining step (RDS) for both catalysts of interest. The highest reaction energy for Ir<sub>0.25</sub>Ru<sub>0.75</sub>/C is 3.94 eV, whereas, for Ir<sub>0.5</sub>Ru<sub>0.5</sub>/C, it is 4.46 eV. This study demonstrates that solid-state synthesis enables the controlled design of highly active and stable IrRu catalysts and offers a promising approach for scalable OER catalyst production.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"5897–5910 5897–5910"},"PeriodicalIF":5.4,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rapid Ion Migration and High Stability in SiOx Anodes Enabled by Co Doping and Core–Shell Architecture Co掺杂和核壳结构在SiOx阳极中的快速离子迁移和高稳定性
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-28 DOI: 10.1021/acsaem.5c0050610.1021/acsaem.5c00506
Chunxia Wang, Zhaolong Ding, Wei An, Zhenhua Xu, Mingdi Yao, Qihao Qin, Yizhang Du, Mingpei Yang, Yaqing Weng, Quanfeng Shen, Changchun Wang and Guoyong Huang*, 
{"title":"Rapid Ion Migration and High Stability in SiOx Anodes Enabled by Co Doping and Core–Shell Architecture","authors":"Chunxia Wang,&nbsp;Zhaolong Ding,&nbsp;Wei An,&nbsp;Zhenhua Xu,&nbsp;Mingdi Yao,&nbsp;Qihao Qin,&nbsp;Yizhang Du,&nbsp;Mingpei Yang,&nbsp;Yaqing Weng,&nbsp;Quanfeng Shen,&nbsp;Changchun Wang and Guoyong Huang*,&nbsp;","doi":"10.1021/acsaem.5c0050610.1021/acsaem.5c00506","DOIUrl":"https://doi.org/10.1021/acsaem.5c00506https://doi.org/10.1021/acsaem.5c00506","url":null,"abstract":"<p >The huge volume expansion (200%) and poor electrical conductivity of SiO<i>x</i> have seriously hampered its commercial application. To solve the problem of SiO<i>x</i>-based negative electrodes, SiO<i>x</i>@CoC composites were prepared by using a self-assembly strategy in which heat-treated nano-Si (SiO<i>x</i>) acts as the core structure while Co NPs deposited the carbon layer as the shell structure. The experimental results showed that the presence of Co nanoparticles increased the Li<sup>+</sup> migration rate (10<sup>–11</sup> cm<sup>2</sup> s<sup>–1</sup>) and enhanced the mechanical strength of the outer layer (volume expansion of 20%). As a result of these advantages, SiO<i>x</i>@CoC has a reversible capacity of 500 mA h g<sup>–1</sup> and 97% capacity retention after 400 cycles. Theoretical calculations show that the presence of Co nanoparticles enhances the Li<sup>+</sup> adsorption by SiO<i>x</i> (Δ<i>E</i><sub>ads</sub> = −3.36 eV) and reduces the Li<sup>+</sup> migration energy barrier. In addition, the density of electronic states (DOS) indicates that the overall electrical conductivity of the material is significantly improved by Co doping. Finally, SiO<i>x</i>@CoC mixed with graphite can be well matched with LiFePO<sub>4</sub> to form a full battery. There is no temperature runaway, and 130 mA h g<sup>–1</sup> reversible capacity is retained in 5.2 and 1.5 V overcharge/discharge experiments.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"6100–6111 6100–6111"},"PeriodicalIF":5.4,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Stabilizing the Interface between Lithium Metal Anode and Li1.5Al0.5Ti1.5(PO4)3 Electrolyte Using Ion-Conductive Polymers 离子导电聚合物稳定锂金属阳极与Li1.5Al0.5Ti1.5(PO4)3电解质界面
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-28 DOI: 10.1021/acsaem.5c0079110.1021/acsaem.5c00791
Seul Ki Choi, In Woo Cho, Yoon Myung, Se Youn Cho, Jaewon Choi* and Minho Yang*, 
{"title":"Stabilizing the Interface between Lithium Metal Anode and Li1.5Al0.5Ti1.5(PO4)3 Electrolyte Using Ion-Conductive Polymers","authors":"Seul Ki Choi,&nbsp;In Woo Cho,&nbsp;Yoon Myung,&nbsp;Se Youn Cho,&nbsp;Jaewon Choi* and Minho Yang*,&nbsp;","doi":"10.1021/acsaem.5c0079110.1021/acsaem.5c00791","DOIUrl":"https://doi.org/10.1021/acsaem.5c00791https://doi.org/10.1021/acsaem.5c00791","url":null,"abstract":"<p >Solid-state electrolytes (SSEs) allow for pushing the limits of conventional lithium-ion batteries (LIBs) (e.g., low gravimetric/volumetric energy density, fundamental safety concerns) due to intrinsic properties such as superior electrochemical stability and nonflammability compared to liquid electrolytes. Li<sub>1.5</sub>Al<sub>0.5</sub>Ti<sub>1.5</sub>(PO<sub>4</sub>)<sub>3</sub> (LATP), one of the promising SSEs, can be produced by a scalable, nontoxic, economic process. However, when LATPs come into contact with a lithium metal anode, the reduction of Ti<sup>4+</sup> to Ti<sup>3+</sup> by electron conduction forms a resistive layer that hinders lithium-ion migration, thereby causing a high level of polarization. In this study, we synthesized a polymer ionic liquid (PIL) with high ionic conductivity through anion exchange reaction and employed it as a coating layer on LATP by a simple dip-coating method. Li symmetric cell with PIL@LATP demonstrates stable cycling performance for over 300 cycles at 0.5 mA/cm<sup>2</sup>. The Li//PIL@LATP//LFP cells exhibit a stable voltage profile with low overpotential at various current densities and a high capacity retention of 83.73% over 200 charge–discharge cycles at 1 C. Also, the stacked bipolar cell demonstrated notable voltage performance with an operational voltage reaching approximately 6.7 V. This voltage profile suggests a robust electrical potential for energy storage applications. Consequently, the PIL layer coated on the solid electrolyte blocks electron conduction from the lithium metal anode at the interface, prevents Ti<sup>4+</sup> reduction and reduces the interfacial resistance to ionic conduction, thereby improving the rate capability and cycle stability of the all-solid-state batteries.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"6222–6231 6222–6231"},"PeriodicalIF":5.4,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent Advancement in Electrocatalytic Water Splitting Facilitated by the Sulfide Oxidation Reaction 硫化物氧化催化电催化水分解研究进展
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-27 DOI: 10.1021/acsaem.5c0074410.1021/acsaem.5c00744
Lang Zhang, Mingying Chen, Lingfeng Xiao, Yinghong Wu*, Qian Liu, Guangzhi Hu* and Xijun Liu*, 
{"title":"Recent Advancement in Electrocatalytic Water Splitting Facilitated by the Sulfide Oxidation Reaction","authors":"Lang Zhang,&nbsp;Mingying Chen,&nbsp;Lingfeng Xiao,&nbsp;Yinghong Wu*,&nbsp;Qian Liu,&nbsp;Guangzhi Hu* and Xijun Liu*,&nbsp;","doi":"10.1021/acsaem.5c0074410.1021/acsaem.5c00744","DOIUrl":"https://doi.org/10.1021/acsaem.5c00744https://doi.org/10.1021/acsaem.5c00744","url":null,"abstract":"<p >Water electrolysis represents a promising pathway for hydrogen generation. However, its practical implementation is constrained by the kinetically sluggish anodic process of the oxygen evolution reaction (OER). Recently, a strategy of replacing OER with the sulfide oxidation reaction (SOR) has garnered significant attention. By coupling SOR with the cathodic hydrogen evolution reaction (HER), this approach reduces the overall reaction overpotential, facilitates the simultaneous purification of sulfide-containing wastewater, and recovers sulfur resources, thereby achieving dual benefits of environmental remediation and economic value. This Review initiates with a systematic elucidation of the SOR mechanistic framework and comprehensively catalogs recent advancements in bifunctional electrocatalysts for integrated SOR||HER systems, such as metal (hydr)oxides, metal sulfides, heterojunction catalysts, and alloy catalysts. In light of the relationship between active site modulation and catalyst structure, we suggest methods for improving the performance of SOR catalysts and outline future directions for SOR.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"5612–5624 5612–5624"},"PeriodicalIF":5.4,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Efficient Bifunctional Catalysts Based on Electronic Structure-Engineered Mn-Doped CoFeP in Zinc-Air Batteries 基于电子结构工程mn掺杂CoFeP的锌空气电池高效双功能催化剂
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-27 DOI: 10.1021/acsaem.5c0055410.1021/acsaem.5c00554
Chang Zou, Qingye Liu, Jiangtao Li, Xueyan Sun*, Jun Liu, Wei Zhao* and Yilun Liu, 
{"title":"Efficient Bifunctional Catalysts Based on Electronic Structure-Engineered Mn-Doped CoFeP in Zinc-Air Batteries","authors":"Chang Zou,&nbsp;Qingye Liu,&nbsp;Jiangtao Li,&nbsp;Xueyan Sun*,&nbsp;Jun Liu,&nbsp;Wei Zhao* and Yilun Liu,&nbsp;","doi":"10.1021/acsaem.5c0055410.1021/acsaem.5c00554","DOIUrl":"https://doi.org/10.1021/acsaem.5c00554https://doi.org/10.1021/acsaem.5c00554","url":null,"abstract":"<p >As one of the candidates for storage and conversion of new energy devices, zinc-air batteries have great advantages in terms of energy density/power density, safety, greenness, and cost. However, the slow kinetics of the oxygen reaction during the charging and discharging processes severely hinder the application of zinc-air batteries. This paper designs metal phosphides rationally to obtain a low-cost, highly efficient, and stable bifunctional catalyst Mn–CoFeP-2. The excellent performance of this catalyst for both the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) is attributed to the doping of Mn, which optimizes the electronic structure of CoFeP and exposes more active sites. The Mn–CoFeP-2 catalyst exhibited excellent ORR performance (<i>E</i><sub>onset</sub> = 0.853 V) and significantly enhanced OER electrocatalytic activity (overpotential of 443 mV at a current density of 10 mA cm<sup>–2</sup>). Density functional theory calculations show that the doping of Mn can effectively reduce the energy barrier of Co–Fe sites at the ORR and OER rate-limiting steps. In addition, the Mn–CoFeP-2-based rechargeable zinc-air battery can be cycled for 140 h at a current density of 2 mA cm<sup>–2</sup>, which exhibits a better cycling stability performance than the Pt/C–RuO<sub>2</sub> battery (110 h). These outstanding results indicate that Mn–CoFeP-2 is a promising bifunctional catalyst for zinc-air batteries.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"6160–6170 6160–6170"},"PeriodicalIF":5.4,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multifunctional Biguanide Salts as Efficient Defect Passivators for High-Performance Inverted Perovskite Solar Cells 多功能双胍盐作为高性能倒钙钛矿太阳能电池的高效缺陷钝化剂
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-27 DOI: 10.1021/acsaem.5c0053510.1021/acsaem.5c00535
Huxue He, Yong Zhu, Xiong Chang, Kunpeng Li, Mengni Zhou, Duo Xu, Fashe Li, Xing Zhu, Hua Wang, Jiangzhao Chen and Tao Zhu*, 
{"title":"Multifunctional Biguanide Salts as Efficient Defect Passivators for High-Performance Inverted Perovskite Solar Cells","authors":"Huxue He,&nbsp;Yong Zhu,&nbsp;Xiong Chang,&nbsp;Kunpeng Li,&nbsp;Mengni Zhou,&nbsp;Duo Xu,&nbsp;Fashe Li,&nbsp;Xing Zhu,&nbsp;Hua Wang,&nbsp;Jiangzhao Chen and Tao Zhu*,&nbsp;","doi":"10.1021/acsaem.5c0053510.1021/acsaem.5c00535","DOIUrl":"https://doi.org/10.1021/acsaem.5c00535https://doi.org/10.1021/acsaem.5c00535","url":null,"abstract":"<p >The high defect density in perovskite materials poses a significant challenge to improving the efficiency and long-term stability of perovskite solar cells (PSCs). To address this, molecules featuring electron-donating or electron-withdrawing groups have been utilized for defect passivation. In this study, biguanide hydrochloride (BH), a multifunctional organic molecule, was introduced into the perovskite layer. The nitrogen groups in BH establish strong chemical interactions with Pb<sup>2+</sup> ions, altering the perovskite’s crystallization direction, significantly reducing defect state density, suppressing nonradiative recombination, enhancing carrier separation efficiency, and promoting carrier transport. PSCs incorporating BH achieved a notable power conversion efficiency (PCE) of 23.51%, with a short-circuit current density (<i>J</i><sub>SC</sub>) of 24.85 mA cm<sup>–2</sup> and an open-circuit voltage (<i>V</i><sub>OC</sub>) of 1.13 V. Following 1500 h of aging under 35% relative humidity, BH-modified PSCs demonstrated exceptional environmental stability, retaining 95.1% of their initial PCE, significantly outperforming control devices. This study presents an innovative approach by exploiting the strong chelating ability of biguanide hydrochloride (BH) to expand the application of guanidine derivatives in perovskite photovoltaics. The proposed strategy not only enhances device performance (PCE) but also ensures long-term operational durability, paving the way for next-generation stable and efficient perovskite solar cells.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"6129–6138 6129–6138"},"PeriodicalIF":5.4,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Performance and Durability of Membrane Electrode Assemblies Using Ni-Based OER Catalysts for Anion Exchange Membrane Water Electrolysis ni基OER催化剂用于阴离子交换膜电解的膜电极组件的性能和耐久性
IF 5.4 3区 材料科学
ACS Applied Energy Materials Pub Date : 2025-04-27 DOI: 10.1021/acsaem.5c0021410.1021/acsaem.5c00214
Soichiro Natori, Sayaka Takahashi, Toshio Iwataki, Takayuki Asakawa, Guoyu Shi, Katsuyoshi Kakinuma, Kenji Miyatake and Makoto Uchida*, 
{"title":"Performance and Durability of Membrane Electrode Assemblies Using Ni-Based OER Catalysts for Anion Exchange Membrane Water Electrolysis","authors":"Soichiro Natori,&nbsp;Sayaka Takahashi,&nbsp;Toshio Iwataki,&nbsp;Takayuki Asakawa,&nbsp;Guoyu Shi,&nbsp;Katsuyoshi Kakinuma,&nbsp;Kenji Miyatake and Makoto Uchida*,&nbsp;","doi":"10.1021/acsaem.5c0021410.1021/acsaem.5c00214","DOIUrl":"https://doi.org/10.1021/acsaem.5c00214https://doi.org/10.1021/acsaem.5c00214","url":null,"abstract":"<p >For the large-scale commercialization of anion exchange membrane water electrolysis (AEMWE), it is essential to develop electrocatalysts that exhibit both high activity and durability. Here, we investigate the performance of membrane-electrode assemblies (MEAs) up to a current density of 4 A cm<sup>–2</sup>, as well as durability assessments, including startup (4 A cm<sup>–2</sup>, 10 s) and shutdown (0.1 V, 10 s) cycles and constant current density (1 A cm<sup>–2</sup>) and load fluctuations (0–2 A cm<sup>–2</sup>) cycles at 80 °C, of AEMWE single cells using several in-house developed Ni-based oxide catalysts (NiCoO<sub><i>X</i></sub>, NiCoMoO<sub><i>X</i></sub>, NiFeO<sub><i>X</i></sub>) for the anode, and the in-house developed anion exchange ionomer (QPAF-4) for both the membrane and the catalyst layer binder. The results of the 2000-cycle accelerated degradation test demonstrate the extremely high stability of NiFeO<sub><i>X</i></sub>, together with high MEA performance, 1.94 V@4 A cm<sup>–2</sup>, achieved after the durability test. Based on these results, we provide strategies for the development of electrocatalysts achieving high performance and durability on the MEA level.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 9","pages":"5823–5834 5823–5834"},"PeriodicalIF":5.4,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsaem.5c00214","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","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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