Insights into Cation Migration and Intermixing in Advanced Cathode Materials for Lithium‐Ion Batteries

Advanced Energy Materials, Год журнала: 2024, Номер unknown

Опубликована: Июнь 29, 2024

Abstract Cathode materials are the core components of lithium‐ion batteries owing to determination practical voltage and effective energy battery system. However, advanced cathodes have faced challenges related cation migration intermixing. In this review, study summarizes structural failure mechanisms due mixing cathodes, including Ni‐rich Li‐rich layered spinel, olivine, disordered rock‐salt materials. This review starts by discussing degradation caused intermixing in different focusing on electronic structure, crystal electrode structure. Furthermore, optimization strategies for inhibition rational utilization systematically encapsulated. Last but not least, remaining proposed perspectives highlighted future development cathodes. The accurate analysis using characterization, precise control material synthesis, multi‐dimensional synergistic modification will be key research areas provides a comprehensive understanding emerge as pivotal controllable factors further

Язык: Английский

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Mitigating Long Range Jahn‐Teller Ordering to Stabilize Mn Redox Reaction in Biphasic Layered Sodium Oxide

Advanced Energy Materials, Год журнала: 2024, Номер unknown

Опубликована: Окт. 31, 2024

Abstract To develop the next‐generation commercial oxide cathodes for sodium‐ion batteries, it is crucial to reduce expensive Ni element content, and further regulate redox reaction of cheap transition metal elements such as Mn elevate specific capacity. Nevertheless, activation (MRR) remains a challenge, notably, MRR induces pronounced Jahn‐Teller effect, resulting in severe structural distortion fast performance decay. Herein, activated by Na vacancies weakened hybridization O (2p)‐TM (3d‐t 2 g ) orbital, biphasic low‐Ni Mn‐based P2/O3‐Na 0.8 0.23 Fe 0.34 0.43 (P2/O3) exhibits reversible MRR, which performs between 4+ 3+ during charging discharging. Due interlaced arrangement P2‐type O3‐type crystal domains P2/O3, long range ordering restricted mitigate cooperative MnO6 octahedron induced effect suppressed, ensuring sustained stable involvement charge compensation. In addition, owing introduction phase, there significant reduction migration barrier sodium ions no obvious capacity decline after air exposure, leading marked enhancement dynamic stability respectively. Consequently, P2/O3 excellent electrochemical processing performance.

Язык: Английский

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Probing Jahn–Teller Distortions and Antisite Defects in LiNiO₂ with ⁷Li NMR Spectroscopy and Density Functional Theory

Chemistry of Materials, Год журнала: 2024, Номер 36(9), С. 4226 - 4239

Опубликована: Апрель 24, 2024

The long- and local-range structure electronic properties of the high-voltage lithium-ion cathode material for Li-ion batteries, LiNiO

Язык: Английский

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A Fundamental Correlative Spectroscopic Study on Li_1‐xNiO₂ and NaNiO₂

Advanced Energy Materials, Год журнала: 2024, Номер 14(41)

Опубликована: Июль 24, 2024

Abstract The intricate relationship between local atomic arrangements and electronic states significantly influences the electrochemical properties of Li‐ion battery cathode materials. Despite decades investigation, a consensus regarding structure LiNiO 2 remains elusive. This ambiguity stems from potential distortion Ni sites, either via Jahn‐Teller (JT) or bond disproportionation (BD), complicating understanding charge compensation mechanism involving O. study compares structures NaNiO , JT system, using an innovative approach that integrates bulk spectroscopy techniques on standardized interoperable samples for enhanced reliability. While X‐ray absorption theoretical calculations fail to differentiate proposed scenarios, Raman highlights structural distinctions monoclinic rhombohedral . HAXPES confirms various formal oxidation Ni, supported by RIXS data indicating 3d 8 states, emphasizing negative transfer some in Regarding compensation, XRS suggest oxygen hole involvement redox activity, whereas does not detect molecular oxygen. comprehensive spectroscopic analysis importance correlative characterization workflows elucidating complex structural‐electrochemical relationships.

Язык: Английский

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Effects of transition metal ions migration at the cathode|electrolyte interface on the performance of thin-film Lithium-ion batteries with NCM cathodes

Energy storage materials, Год журнала: 2024, Номер 70, С. 103498 - 103498

Опубликована: Май 24, 2024

Язык: Английский

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Challenges and opportunities using Ni-rich layered oxide cathodes in Li-ion rechargeable batteries: the case of nickel cobalt manganese oxides

Energy Advances, Год журнала: 2024, Номер 3(8), С. 1869 - 1893

Опубликована: Янв. 1, 2024

Doping, coating, surface modification, formation of composites and control crystalline orientation can the capacity retention Ni-rich cathodes. Furthermore, design Co-free cathodes may provide a cost-effective solution.

Язык: Английский

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Structure, redox states, and magnetic properties of Li1−xNi1−zCoz/2Mn

Physical Review Materials, Год журнала: 2025, Номер 9(4)

Опубликована: Апрель 22, 2025

Cathode materials Li1−xNi1−zCoz/2Mnz/2O2 with z=1/5 (NCM811), z=2/5 (NCM622), or z=2/3 (NCM111) in (i) the pristine state, (ii) charged to x=0.5 x=0.65, and (iii) discharged after having been previously were characterized by x-ray diffraction (XRD), absorption spectroscopy (XAS), direct current (DC) alternating (AC) magnetometry, heat capacity, nuclear magnetic resonance (NMR) spectroscopy. The properties of these layered oxides are decisively determined Ni2+ ions that have migrated from transition metal (TM) layer Li magnetically coupled Ni, Co, Mn cations occupying neighboring sites within adjacent TM layers. For states, this cluster formation causes a bifurcation between zero-field-cooled (ZFC) field-cooled (FC) susceptibility vs temperature curve (which sets continuously below about 100 K) is responsible for appearance broad maximum imaginary χ′′ centered around 14, 23, 25 K NCM111, NCM622, NCM811, respectively. states reduced Ni2+ amount do no longer show features pointing strongly ability. Further, three-dimensional (frustrated) long-range ordering leads local capacity another abrupt ZFC/FC (both observable slightly 10 additional all compositions (and charge) common. With increasing Ni Co/Mn ratio, low-temperature exhibits more pronounced “partial” spin-glass-like characteristic as inferred frequency shift AC maximum. results AC/DC magnetometry measurements return complementary information what can be XRD, XAS, NMR investigations Li/Ni disorder, TMs' oxidation states. systematic investigation samples different ratios (going NCM811 via NCM622 NCM111) TMs (at allows better understanding how phenomena correlated (real) structure electronic oxide cathode materials. Published American Physical Society 2025

Язык: Английский

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Overlooked issues on oxidation state analysis in electrode materials by X-ray photoelectron spectroscopy

Journal of Power Sources, Год журнала: 2025, Номер 644, С. 237093 - 237093

Опубликована: Апрель 23, 2025

Язык: Английский

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Layered 3d Transition Metal‐Based Oxides for Sodium‐Ion and Lithium‐Ion Batteries: Differences, Links and Beyond

Advanced Functional Materials, Год журнала: 2024, Номер unknown

Опубликована: Сен. 9, 2024

Abstract Due to their stable crystal framework, promising energy density, and structural versatility, layered 3 d transition metal oxides have emerged as the preferred cathodes for lithium‐ion batteries (LIBs) sodium‐ion (SIBs). While extensive research has individually addressed lithium sodium oxides, differences interconnections between two types of materials largely been overlooked. Effectively utilizing these summaries is essential driving innovative designs inspiring new insights into structure‐property relationships. This review comprehensively bridges this gap by meticulously examining disparities links in behavior upon Li + Na storage transfer. Key aspects, including atomic electronic structure, phase mechanisms, charge compensation mechanisms electrochemical kinetics, are carefully summarized. The implications aspects on battery cycle life, rate capability thoroughly discussed. Additionally, leveraging unique characteristics each oxide explores interconnection depth. Finally, a concise perspective future targets direction deduced proposed.

Язык: Английский

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Machine learning descriptors for crystal materials: applications in Ni-rich layered cathode and lithium anode materials for high-energy-density lithium batteries

Journal of Materials Informatics, Год журнала: 2024, Номер 4(4)

Опубликована: Окт. 28, 2024

Lithium batteries have revolutionized energy storage with their high density and long lifespan, but challenges such as limitations, safety, cost still need to be addressed. Crystalline materials, including Ni-rich cathodes lithium anodes, play pivotal roles in the performance of high-energy-density batteries. Understanding micro-scale behavior degradation mechanisms these materials is crucial for improving macro-scale battery performance. Simulation methods, particularly machine learning (ML) techniques, become indispensable tools elucidating intricate processes because great efficiency acceptable accuracy. ML methods depend on descriptors, which bridge gap between crystal structures input matrices models. These descriptors encode essential atomic-level details structures, enabling predictions material properties behaviors relevant This paper reviews discusses diverse array employed simulation crystalline density. Case studies highlight effectiveness different simulating cathode Li/Ni disordering, screening stable LiNi0.8Co0.1Mn0.1O2 (NMC811) configurations, deposition at anode interface. The discussed can also applied other cathode, anode, electrolyte advance development superior

Язык: Английский

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