Sustainable Energy & Fuels最新文献_第2页

(111) Facet-engineered SnO2 as an electron transport layer for efficient and stable triple-cation perovskite solar cells† （11）表面工程SnO2作为高效稳定的三阳离子钙钛矿太阳能电池的电子传输层[j]

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-23 DOI: 10.1039/D5SE00339C

Keshav Kumar Sharma, Rohit Saini, Sochannao Machinao and Ramesh Karuppannan

{"title":"(111) Facet-engineered SnO2 as an electron transport layer for efficient and stable triple-cation perovskite solar cells†","authors":"Keshav Kumar Sharma, Rohit Saini, Sochannao Machinao and Ramesh Karuppannan","doi":"10.1039/D5SE00339C","DOIUrl":"https://doi.org/10.1039/D5SE00339C","url":null,"abstract":"In this study, we report (111) facet-engineered cubic phase tin(IV) oxide (C–SnO2) as a novel electron transport layer (ETL) for triple-cation mixed-halide Cs0.05(FA0.83MA0.17)0.95Pb(I0.83Br0.17)3 perovskite solar cells (PSCs). The C–SnO2 layer was prepared via a normal sol–gel process followed by the spin-coating technique. The (111) facet C–SnO2 layer provides a larger surface contact area with an adjacent perovskite layer, enhancing charge transfer dynamics at the interface. In addition, the well-matched overlapping band structures improve the charge extraction efficiency between the two layers. Using (111) facet C–SnO2 as an ETL, we obtain PSCs with a higher power conversion efficiency of 20.34% (0.09 cm2) than those employing a tetragonal phase SnO2 ETL. The PSCs with the C–SnO2 ETL retain over 81% of their initial efficiency after 480 h. This work concludes with a brief discussion on recombination and charge transport mechanisms, providing ways to optimize the C–SnO2 ETL to improve the PSCs' performance and stability.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 11","pages":" 3102-3109"},"PeriodicalIF":5.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148209","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

Ba0.6Sr0.4TiO3 ferroelectric filler-reinforced poly(vinylidene fluoride) polymer electrolytes for dendrite-free solid-state Li metal batteries†

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-22 DOI: 10.1039/D5SE00285K

Chen Yang, Hongjian Zhang, Mingtao Zhu, Ping Li, Hao Wu, Qiushi Wang and Yong Zhang

{"title":"Ba0.6Sr0.4TiO3 ferroelectric filler-reinforced poly(vinylidene fluoride) polymer electrolytes for dendrite-free solid-state Li metal batteries†","authors":"Chen Yang, Hongjian Zhang, Mingtao Zhu, Ping Li, Hao Wu, Qiushi Wang and Yong Zhang","doi":"10.1039/D5SE00285K","DOIUrl":"https://doi.org/10.1039/D5SE00285K","url":null,"abstract":"Polyvinylidene fluoride (PVDF)-based electrolytes have attracted significant attention for their potential use in solid-state lithium batteries (SSLBs) due to their superior electrochemical performance and safety. However, their low ionic conductivity and uneven lithium deposition hinder the further application of PVDF-based electrolytes. Herein, this work focuses on incorporating Ba0.6Sr0.4TiO3 (BST) ferroelectric ceramics into PVDF to form composite solid-state electrolytes (CSEs). The BST ferroelectric ceramics can create an intrinsic electric field that facilitates lithium-ion transport and enables uniform Li deposition. In addition, benefiting from the high dielectric constant of BST and dipoles generated from the asymmetric structure, PVDF–BST CSEs achieve a high ionic conductivity (1.79 × 10−4 S cm−1) due to more free lithium ions, a wide electrochemical window of 4.8 V (vs. Li/Li+) and a high Li+ transference number (0.37). The assembled Li|PVDF–BST|Li symmetrical cells can steadily cycle for 1100 h at 0.1 mA cm−2 at 25 °C. The assembled Li|PVDF–BST|LiFePO4 cells show long-term cycling stability with a capacity retention of 85.6% after 100 cycles at 0.5C and a capacity retention of 81.4% after 200 cycles at 1C. This work provides a new strategy for improving the performance of the PVDF-based electrolytes by incorporating ferroelectric ceramics.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 10","pages":" 2782-2791"},"PeriodicalIF":5.0,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944000","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

Immobilisation of a molecular iridium complex on periodic mesoporous organosilica for heterogeneous water oxidation catalysis† 周期性介孔有机二氧化硅上铱分子络合物的非均相水氧化催化研究

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-21 DOI: 10.1039/D5SE00371G

Raúl Rojas-Luna, Juan Amaro-Gahete, Sumit Konar, Francisco J. Romero-Salguero, Dolores Esquivel and Souvik Roy

{"title":"Immobilisation of a molecular iridium complex on periodic mesoporous organosilica for heterogeneous water oxidation catalysis†","authors":"Raúl Rojas-Luna, Juan Amaro-Gahete, Sumit Konar, Francisco J. Romero-Salguero, Dolores Esquivel and Souvik Roy","doi":"10.1039/D5SE00371G","DOIUrl":"https://doi.org/10.1039/D5SE00371G","url":null,"abstract":"Water oxidation (WO) is considered the main bottleneck of artificial photosynthesis. In this scenario, the development of efficient water oxidation catalysts (WOCs) is essential for optimising artificial solar energy conversion systems. Herein, we report the synthesis and characterisation of a new Ir-based molecular catalyst by coordinating IrCp*Cl (Cp* = pentamethylcyclopentadienyl) to a N-chelating heterocyclic ligand, 3,6-dipyridin-2-ylpyridazine (dppz). Kinetics and water oxidation catalytic activity for the half-sandwiched iridium(III) pre-catalyst have been evaluated by using cerium ammonium nitrate (CAN) as an electron acceptor. Heterogenisation of the molecular Ir complex on a previously reported dppz-functionalised PMO (NdppzPMO) was demonstrated to synthesize a robust and recyclable solid catalyst (Ir-PMO) with well-defined catalytic sites. This approach stabilises the molecular active site during catalysis by preventing the diffusion-controlled deactivation pathways observed in the homogeneous phase. In the presence of CAN, Ir-PMO exhibits a steady evolution of oxygen over multiple catalytic cycles, producing a total amount of 1349 μmol O2 (TONIr = 1874) until the system starts to deactivate due to the deposition of cerium oxide (CeO2) nanoparticles. The hydrophobic nature of Ir-PMO facilitates diffusion of the oxidising agent towards the catalytic sites, leading to a faster catalytic rate compared to an analogous silica-based material with a covalently attached Ir-complex.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 11","pages":" 2961-2972"},"PeriodicalIF":5.0,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d5se00371g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148178","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

Suppression of the Marangoni effect by controlling the mixing procedures of the precursor solution to improve the performance of perovskite solar cells† 通过控制前驱体溶液的混合过程来抑制Marangoni效应，以提高钙钛矿太阳能电池的性能

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-17 DOI: 10.1039/D5SE00149H

Yunfei Wang, Lili Shen, Xinyu Chen, Zongqi Chen and Songwang Yang

{"title":"Suppression of the Marangoni effect by controlling the mixing procedures of the precursor solution to improve the performance of perovskite solar cells†","authors":"Yunfei Wang, Lili Shen, Xinyu Chen, Zongqi Chen and Songwang Yang","doi":"10.1039/D5SE00149H","DOIUrl":"https://doi.org/10.1039/D5SE00149H","url":null,"abstract":"Perovskite solar cells (PSCs) with mesoporous structures have attracted much attention due to their stability and low cost. In this work, we found that the preparation procedures of the precursor solutions directly affect their permeability in the mesoporous scaffold with a mixed solvent system consisting of γ-valerolactone (GVL) and ethanol (EtOH). Control over the side reactions in the precursor solution can suppress the Marangoni effect. The optimized solution can uniformly penetrate the mesoporous scaffold, which can enhance the interfacial contact and charge transfer well, thus significantly improving the photovoltaic performance of the PSCs. This process significantly improved the power conversion efficiency (PCE) from 14.71% to 16.55% (mask area of 0.07 cm2). A PCE of 13.02% was achieved for a large-area sub-module with an effective area of 66 cm2. In addition, the unencapsulated PSCs obtained using the optimized solution showed better stability with less than 15% decay over 1440 hours of storage in air (25–35% RH).","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 11","pages":" 3034-3040"},"PeriodicalIF":5.0,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148185","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

Vacancy enhanced Li, Na, and K clustering on graphene†

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-16 DOI: 10.1039/D5SE00130G

Jonathon Cottom, Qiong Cai and Emilia Olsson

{"title":"Vacancy enhanced Li, Na, and K clustering on graphene†","authors":"Jonathon Cottom, Qiong Cai and Emilia Olsson","doi":"10.1039/D5SE00130G","DOIUrl":"https://doi.org/10.1039/D5SE00130G","url":null,"abstract":"The formation of metallic dendrites during battery cycling is a persistent challenge for alkali metal-ion batteries, reducing cycle life and posing safety risks. Although surface defects are often implicated in inhomogeneous metal nucleation, the atomic-scale mechanisms by which they promote metal clustering and subsequent dendrite formation remain poorly understood. Here, we use first-principles calculations to investigate how carbon monovacancies (VC) influence the clustering behaviour of alkali metals (Li, Na, and K) on graphene – a common basal-plane motif in graphite, hard carbons, and graphene-based anodes. Clusters of Li, Na, and K of varying size (Mn for n ∈ {1–12}) are characterised on pristine and defective graphene to understand their stability. On pristine graphene, cluster formation is hindered for Li due to the instability of small clusters (n ≤ 3) and significant Li–Li repulsion, and suppressed for K due to weak K–K binding and its larger ionic radius. In contrast, Na exhibits spontaneous clustering, suggesting a higher propensity for dendrite formation even in the absence of defects. The introduction of a VC dramatically alters these trends: it stabilises small (n ≤ 3) clusters across all three metals by enhancing binding strength with the surface and modifying charge localisation. For Li, the vacancy overcomes the barrier to early-stage nucleation; for Na, it promotes growth at even lower metal loadings; and for K, clustering becomes locally favoured albeit only for the smallest cluster sizes (n ≤ 3). These results clarify the defect-facilitated pathways to metal clustering, offering atomistic insight that can inform the development of more dendrite-resistant carbon architectures.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 10","pages":" 2813-2826"},"PeriodicalIF":5.0,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d5se00130g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944032","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

Advantages of ordered catalyst layers in PEMFCs: theoretical perspectives and future development

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-16 DOI: 10.1039/D5SE00028A

Muhammad Yusro and Viktor Hacker

{"title":"Advantages of ordered catalyst layers in PEMFCs: theoretical perspectives and future development","authors":"Muhammad Yusro and Viktor Hacker","doi":"10.1039/D5SE00028A","DOIUrl":"https://doi.org/10.1039/D5SE00028A","url":null,"abstract":"The catalyst layer in Proton Exchange Membrane Fuel Cells (PEMFCs) is crucial for facilitating electrochemical reactions. These layers required meticulously engineered structures to optimize the accessibility of catalyst sites to reactants and to enhance electron and proton transport. The advancement of patterned ordered catalyst layers has attracted significant attention, as this arrangement is thought to resolve essential challenges relative to conventional catalyst layer structures in fuel cells. The theoretical foundation for the usage of ordered catalyst layers and their superior performance has not yet been documented. This article addresses the implications of shifting from conventional catalyst layers (CCLs) to ordered catalyst layers (OCLs) in PEMFC applications. The discussion will address important aspects, including mass transfer, reaction rates, platinum utilization, water management, and the generation of electricity, which are essential for interpreting the performance of PEMFCs. Future directions involve modeling, manufacturing scalability, inventive structural designs, and the dissemination of developments, providing insights into enhancing the performance and practicality of PEMFCs.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 10","pages":" 2625-2650"},"PeriodicalIF":5.0,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d5se00028a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944162","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

Selective recovery of valuable materials from retired ternary lithium-ion batteries based on carbon monoxide reduction† 基于一氧化碳还原的退役三元锂离子电池中有价材料的选择性回收

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-16 DOI: 10.1039/D5SE00228A

Zhen Xiong, Hairong Zhang, Haijun Guo, Mengkun Wang, Can Wang, Hailong Li, Lian Xiong, Xuefang Chen and Xinde Chen

{"title":"Selective recovery of valuable materials from retired ternary lithium-ion batteries based on carbon monoxide reduction†","authors":"Zhen Xiong, Hairong Zhang, Haijun Guo, Mengkun Wang, Can Wang, Hailong Li, Lian Xiong, Xuefang Chen and Xinde Chen","doi":"10.1039/D5SE00228A","DOIUrl":"https://doi.org/10.1039/D5SE00228A","url":null,"abstract":"Recycling valuable materials from retired Li-ion batteries (LIBs) can help alleviate the shortage of critical materials, thereby promoting both environmental and economic development. The oxygen-free roasting pre-treatment has emerged as a promising and reliable method for the selective recovery of valuable materials from retired LIBs. In this study, a retired LiNi0.65Co0.15Mn0.2O2 cell, without disassembling and crushing, is subjected to roasting under a carbon monoxide (CO) atmosphere. The composition of roasted products is analyzed, and results indicate that NCM is completely converted into Li2CO3, Ni, Co, and MnO at 500 °C, which is lower than the conventional carbothermal reaction temperature. The gaseous products generated during the process consist primarily of CO2, CO, and H2. Li, transition metals, and graphite are recovered through water and acid leaching processes. 97.48% of Li is recovered from the water-leaching solution after reduction roasting under a CO atmosphere. Subsequently, 99.99% Ni, 99.98% Co, and 99.94% Mn are obtained via acid leaching of the water-extraction residue. The reactions between decomposed products of NCM and Al (Cu) foil will be inhibited under a CO atmosphere. Based on the above results, the retired LIBs can be directly treated without dismantling and crushing by using pyrosis gases as reductants. Consequently, this method demonstrates significant potential for large-scale industrial applications.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 11","pages":" 3023-3033"},"PeriodicalIF":5.0,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148184","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

Ammonia synthesis from water and nitrogen using electricity with a hydrogen-permeable membrane electrochemical cell with Ru catalysts and molten hydroxide electrolyte: integration with ammonia separation and unreacted gas recirculation†

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-15 DOI: 10.1039/D5SE00348B

Raisei Sagara, Eriko Watanabe and Jun Kubota

{"title":"Ammonia synthesis from water and nitrogen using electricity with a hydrogen-permeable membrane electrochemical cell with Ru catalysts and molten hydroxide electrolyte: integration with ammonia separation and unreacted gas recirculation†","authors":"Raisei Sagara, Eriko Watanabe and Jun Kubota","doi":"10.1039/D5SE00348B","DOIUrl":"https://doi.org/10.1039/D5SE00348B","url":null,"abstract":"There is considerable interest in synthesizing NH3 directly from abundant H2O and N2 using electricity from renewable energy sources, for applications such as synthetic fuels, artificial fertilizers, and raw materials for plastics. NH3 synthesis from N2 and H2O was investigated using an electrochemical setup featuring Ru/Cs+/C catalysts, Pd alloy membrane cathodes, NaOH–KOH molten electrolytes, and Ni anodes operated at 250 °C and 1.0 MPa (absolute). This electrochemical setup was integrated with a refrigerated gas/liquid separator at −75 °C to concentrate NH3 and a recirculation pump for unreacted H2 and N2. As a single-pass reactor, if NH3 separation and unreacted gas recirculation were not used, this electrochemical device produced NH3 at 1.0 MPa and 250 °C, with an apparent current efficiency of 32–20% at 10–100 mA cm−2. This efficiency was limited by the chemical equilibrium, which is calculated to be 36%. The study achieved a 90% apparent current efficiency, with a 320 nmol s−1 cm−2 production rate of NH3 at 100 mA cm−2, 250 °C, and 1.0 MPa with NH3 separation and unreacted gas recirculation. The remaining 10% of the apparent current efficiency was used for H2 production. The reaction kinetic properties and scalability of the present system were discussed.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 10","pages":" 2658-2669"},"PeriodicalIF":5.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d5se00348b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944164","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

Efficient and durable perovskite photovoltaics using dibenzothiophene arylamine derivatives for indoor energy harvesting† 使用二苯并噻吩芳胺衍生物的高效耐用的钙钛矿光伏电池用于室内能量收集†

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-14 DOI: 10.1039/D5SE00293A

Lal Chand, Prasun Kumar, Rahul Tiwari, Babar Suraj Shivaji, Milon Kundar, Suman Kalyan Pal, Vibha Saxena, Ranbir Singh and Surya Prakash Singh

{"title":"Efficient and durable perovskite photovoltaics using dibenzothiophene arylamine derivatives for indoor energy harvesting†","authors":"Lal Chand, Prasun Kumar, Rahul Tiwari, Babar Suraj Shivaji, Milon Kundar, Suman Kalyan Pal, Vibha Saxena, Ranbir Singh and Surya Prakash Singh","doi":"10.1039/D5SE00293A","DOIUrl":"https://doi.org/10.1039/D5SE00293A","url":null,"abstract":"Developing efficient and stable hole-transporting materials (HTMs) is critical for improving the performance of perovskite photovoltaic (PPV) devices, especially for indoor applications. Herein, we introduce two novel dibenzothiophene-based small organic molecule HTMs, labelled DBT-1 and DBT-2. These HTMs, featuring DBT as an acceptor and methoxy-substituted diphenylamine as a donor group, were designed to improve PPV devices' stability, charge transport properties, and efficiency. Theoretical studies confirmed the distinct geometries of the HTMs, revealing a more delocalized electron distribution in DBT-2 than in DBT-1, resulting in enhanced electronic properties. Optoelectronic properties revealed that both HTMs have higher highest occupied molecular orbital (HOMO) energy levels than perovskite, ensuring efficient hole extraction. When integrated into indoor perovskite photovoltaic (IPPV) devices, the DBT-2 HTM achieved a remarkable power conversion efficiency (PCE) of 33.32% under 1000 lux LED lighting, outperforming Spiro-OMeTAD-based devices by 28.13%. Notably, the hydrophobic nature and uniform film morphology of DBT-2 contributed to enhanced stability. Furthermore, after 200 hours of thermal stress at 80 °C, both HTMs demonstrated outstanding thermal stability, maintaining 91% of their initial efficiency. These results indicate that DBT-2 is a promising dopant-free HTM for efficient, reliable, and cost-effective PPVs, particularly in indoor applications. The high performance and durability of these materials make them strong contenders for next-generation indoor photovoltaic applications.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 11","pages":" 2993-3003"},"PeriodicalIF":5.0,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148181","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

Analyses of vanadium carbide as an anode for post-lithium batteries 碳化钒作为后锂电池负极的分析

IF 5 3区材料科学

Sustainable Energy & Fuels Pub Date : 2025-04-14 DOI: 10.1039/D5SE00193E

Hálfdán Ingi Gunnarsson, Naveed Ashraf and Younes Abghoui

{"title":"Analyses of vanadium carbide as an anode for post-lithium batteries","authors":"Hálfdán Ingi Gunnarsson, Naveed Ashraf and Younes Abghoui","doi":"10.1039/D5SE00193E","DOIUrl":"https://doi.org/10.1039/D5SE00193E","url":null,"abstract":"Today, lithium batteries dominate the market of rechargeable batteries, but lithium production is expensive and environmentally detrimental. Given increasing demand and rising costs, the search for alternative rechargeable batteries is critical. This work investigates the performance of a promising 2D MXene anode material, vanadium carbide (V2C), for use in metal-ion batteries. We compare the properties of four promising alternative metal-ions (Na, Mg, Al, and Ag) with lithium (Li) using DFT. The comparison revealed that Na and Ag perform comparably to Li, with a respective OCV of 0.66–1.32 V and 0.91–1.23 V, with respective theoretical specific capacities of 627 mA h g−1 and 967 mA h g−1, compared to an OCV of 0.75–1.00 V and a capacity of 967 mA h g−1 for Li. The diffusive barrier of Na is exceptionally low, 0.007 eV, and the barrier for Ag is 0.07 eV, while the barrier for Li is 0.02 eV. The Mg- and Al-ion batteries perform with a very high maximum charging capacity, 1883 mA h g−1 and 2823 mA h g−1 respectively, and a slightly lower OCV range of 0.39–0.45 V and 0.22–0.45 V respectively. Due to the good capacity, high OCV and low diffusive barriers of the ions, V2C anodes are ideal for post-lithium metal-ion battery applications.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 11","pages":" 3068-3077"},"PeriodicalIF":5.0,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148206","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