The Investigation of Fe─F Bond Chemistry on Structural Stability for Highly Durable Layered Na2FePO4F Cathode DOI
Liang He,

Xiaochen Ge,

Xu Wang

и другие.

Advanced Energy Materials, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 14, 2024

Abstract Layered iron (Fe) ‐based fluorophosphates, Na 2 FePO 4 F (NFPF) stands for a cost‐effective and voltage‐advantageous cathode material sodium‐ion batteries. Nevertheless, the lack of stability imposes constraints on its development decay mechanism remains shrouded in ambiguity. Herein, this work proposes breakup Fe─F bond octahedral dimer accountable dissolution redox centers formation electrochemically inert phase, ultimately leading to deterioration electrochemical stability. To verify address this, Boron (B) atoms situated interstitial positions PO tetrahedra appearing trigonal BO 3 can be specifically targeted enhance covalency tailor electronic rearrangements at bonds, thus stabilizing structure. This also facilitates rapid + diffusion dynamics accelerated conductivity. As expected, NFPF‐B exhibits an ultra‐high discharge specific capacity (118.34 mAh g −1 0.1C) excellent long‐term durability (capacity retention 91.9% after 1000 cycles). The octahedra is underscored by minimal volume change (2.9%) within two‐stage biphase reaction sodium storage mechanism. elucidates enduring degradation NFPF from dimers offer theoretical guidance Fe‐based materials with prolonged

Язык: Английский

A Medium‐Entropy NASICON Cathode for Sodium‐Ion Batteries Achieving High Energy Density Through Dual Enhancement of Voltage and Capacity DOI Open Access
Chenglong Shi,

Dilxat Muhtar,

Xiaoyi Lu

и другие.

Advanced Energy Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 17, 2025

Abstract Na 3 V 2 (PO 4 ) (NVP) is recognized for its promising commercialization potential as a sodium‐ion battery (SIB) cathode, due to thermodynamic stability and open structure. However, the limited energy density remains major obstacle further advancement of NVP. Herein, medium‐entropy NASICON 3.3 1.4 Al 0.3 (MgCoNiCuZn) 0.06 (NVAMP‐0.3) designed by introducing 3+ , Mg 2+ Co Ni Cu Zn regulate configurational entropy. These NVAMP‐0.3 achieve an elevated average operating voltage (3.33 V) high capacity (138.1 mAh g −1 based on 2.3 + through /V 4+ 5+ multi‐electron reactions. By simultaneously enhancing voltage, exhibits impressive 460 Wh kg . Furthermore, demonstrates excellent low‐temperature tolerance with retention rate 94.6% after 300 cycles at −40 °C. In situ XRD unveils underlying cause unique phenomenon where solid‐solution reaction accounts faster electrochemical kinetics compared redox. DFT calculations indicate that possesses superior electronic conductivity reduced migration barriers. A pouch cell assembled cathode hard carbon anode highly stable cycling (89.3% 200 1 C). This study provides valuable insights into developing NASICON‐type cathodes densities SIBs.

Язык: Английский

Процитировано

7
Boosting ultralong lifespan of Fe-based Prussian blue analogs cathode via element doping and crystal water capture DOI
Xuan Wang, Mengran Zhao,

Wenjing Du

и другие.

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 160997 - 160997

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

2
Vacancy and Low‐Energy 3p‐Orbital Endow Na4Fe3(PO4)2(P2O7) Cathode with Superior Sodium Storage Kinetics DOI Open Access
Ning Jiang, Cheng Yang, Yichao Wang

и другие.

Small, Год журнала: 2025, Номер unknown

Опубликована: Янв. 5, 2025

Abstract Iron‐based phosphate Na 4 Fe 3 (PO ) 2 (P O 7 (NFPP) has been regarded as the most promising cathode for sodium‐ion batteries (SIBs) thanks to its cost‐effectiveness and eco‐friendliness. However, it is in a predicament from intrinsic low ionic/electronic conductivity, becoming great challenge practical application. Herein, significant roles of low‐energy 3p ‐orbital transition metal vacancies are emphasized facilitating charge rearrangement reconstructing ion‐diffusion channels, perspectives crystallography electron interaction first time, modification mechanism fully explored by various characterizations theoretical calculations. As proof this concept, designed 2.85 Al 0.1 (NF A PP) delivers prominent electrochemical performance, achieving high energy density (≈350 Wh kg⁻¹), superior kinetics (62 mAh g⁻¹ at 10 g⁻¹), excellent power (23 kW kg⁻¹, 143 extraordinary cycling stability (with negligible attenuation after 000 cycles). This work provides brand‐new perspective designing ultra‐endurable high‐rate polyanion cathodes.

Язык: Английский

Процитировано

0
Insight into Highly Reversible Multielectron V3+/V4+/V5+ Reaction of High-Entropy Doped NASICON Cathode for Sodium Ion Batteries DOI

Xiaona Wu,

Zekun Li, Jingchao Zhang

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2025, Номер unknown

Опубликована: Фев. 11, 2025

High-entropy doping has been demonstrated to be an effective method for enhancing the electrochemical performance of NASICON cathode materials, yet underlying mechanisms remain unclear. In this study, we employ V-based sodium superionic conductor (NASICON) materials as a model system investigate impact various substituting elements (Al, Cr, Fe, Ga, and In) on local structure material. This strategy is proven effectively suppress V-ion migration and, consequence, enhance reversibility multielectron reactions. By combining analysis spectroscopic techniques (in situ XRD, STEM, XAFS), investigated changes in composition, structural evolution, distortion VO6 octahedral before after cycling. Under 1 C rate, capacity retention 500 cycles increased from 52.3% 85.7%, with significant suppression voltage hysteresis fading. work elucidates mechanism improved reaction provides guidance design high-performance polyanion electrodes.

Язык: Английский

Процитировано

0
Superior Cycling Stability in Zinc‐Ion Batteries with Ca2+‐Induced Cathode‐Electrolyte Interface and Phytic Acid: Experimental Validation of Theoretical Predictions DOI Open Access

Yaoyu Gu,

Yu Zhang,

Mengdong Wei

и другие.

Small, Год журнала: 2025, Номер unknown

Опубликована: Март 24, 2025

This study investigates the impact of Ca2+ and phytic acid (PA) pre-insertion on performance vanadium oxide (V6O13) as a cathode material for aqueous zinc-ion batteries. Ab initio molecular dynamics (AIMD) simulations reveal that diffusion coefficient Ca2⁺ is higher than Zn2+, leading to preferential extraction Ca2⁺. The extracted readily forms dense cathode-electrolyte interphase (CEI) with SO₄2 - electrode surface, effectively mitigating dissolution. Furthermore, density functional theory (DFT) calculations indicate incorporation lowers energy barrier Zn2⁺, facilitating its diffusion. Additionally, PA insertion stabilizes interlayer spacing V6O13, strong chelating ability structure by preventing collapse during cycling. Experimental validation through one-step solvothermal method confirms these theoretical predictions. CaVO-PA composite exhibits excellent cycling stability, capacity retention rate increasing from 60% 102% after 3000 cycles at 10 A g-¹. Even 20 g-¹, it delivers specific 170.2 mAh g-¹ stable Coulombic efficiency. After 000 cycles, shows no significant degradation, demonstrating superior stability high current tolerance, thereby confirming effectiveness CEI in enhancing electrochemical performance.

Язык: Английский

Процитировано

0
Cobalt Doping of Na2VTi(PO4)3 Enables a High-Energy NASICON-Type Cathode Material for Sodium-Ion Batteries DOI Open Access
Liang Zhou,

Mengyao Wang,

Hao Fan

и другие.

Materials, Год журнала: 2025, Номер 18(11), С. 2419 - 2419

Опубликована: Май 22, 2025

Natrium superionic conductor (NASICON) compounds have emerged as a rising star in the field of sodium-ion batteries (SIBs) owing to their stable framework structure and high Na+ ionic conductivity. The NASICON-structured Na2VTi(PO4)3 manifests significant potential storage material, characterized by decent rate capability cyclability. However, low redox Ti3+/Ti4+ undesirable energy density limit its practical applications. We developed Na3Co2/3V2/3Ti2/3(PO4)3 (NCTVP) cathode material doping an appropriate amount cobalt into Na2VTi(PO4)3. Cobalt introduces Co3+/Co2+ couple at ~4.1 V activates V5+/V4+ ~3.9 V, resulting significantly increased medium discharge voltage capacity. NCTVP demonstrates capacity over 160 mAh g−1 20 mA g−1. With ~2.7 reaches 432.0 Wh kg−1. also desirable cycling stability (87.4% retention for 100 cycles 50 g−1). In situ X-ray diffraction discloses solid solution reaction mechanism NCTVP, while galvanostatic intermittent titration technique fast diffusion kinetics. good cyclability full cells. This contribution effective approach construction NASICON materials SIBs.

Язык: Английский

Процитировано

0
The Investigation of Fe─F Bond Chemistry on Structural Stability for Highly Durable Layered Na2FePO4F Cathode DOI
Liang He,

Xiaochen Ge,

Xu Wang

и другие.

Advanced Energy Materials, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 14, 2024

Abstract Layered iron (Fe) ‐based fluorophosphates, Na 2 FePO 4 F (NFPF) stands for a cost‐effective and voltage‐advantageous cathode material sodium‐ion batteries. Nevertheless, the lack of stability imposes constraints on its development decay mechanism remains shrouded in ambiguity. Herein, this work proposes breakup Fe─F bond octahedral dimer accountable dissolution redox centers formation electrochemically inert phase, ultimately leading to deterioration electrochemical stability. To verify address this, Boron (B) atoms situated interstitial positions PO tetrahedra appearing trigonal BO 3 can be specifically targeted enhance covalency tailor electronic rearrangements at bonds, thus stabilizing structure. This also facilitates rapid + diffusion dynamics accelerated conductivity. As expected, NFPF‐B exhibits an ultra‐high discharge specific capacity (118.34 mAh g −1 0.1C) excellent long‐term durability (capacity retention 91.9% after 1000 cycles). The octahedra is underscored by minimal volume change (2.9%) within two‐stage biphase reaction sodium storage mechanism. elucidates enduring degradation NFPF from dimers offer theoretical guidance Fe‐based materials with prolonged

Язык: Английский

Процитировано

1