Machine Learning-Assisted Bayesian Optimization for the Discovery of Effective Additives for Dendrite Suppression in Lithium Metal Batteries DOI
D.-K. Lee, Teck Leong Tan, Man‐Fai Ng

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2024, Номер 16(46), С. 64364 - 64376

Опубликована: Ноя. 5, 2024

In the pursuit of enhancing performance and safety lithium (Li)-metal batteries, discovery effective electrolyte additives to suppress Li dendrites has emerged as a paramount objective. this study, we employ an inverse design strategy identify potential for dendrite mitigation. Two key mechanisms, namely, formation robust solid interphase layers leveling mechanism, serve foundation our investigation. Our is guided by molecular properties such lowest unoccupied orbital energy interaction upon surface adsorption. An active learning process utilizing Bayesian optimization (BO) was utilized molecules with ideal properties. Through screening process, uncover collection 62 act SEI-forming additives, along 106 both surpassing established reported in literature. This work highlights BO methods computationally based materials many applications, discovered could potentially boost commercialization Li–metal batteries.

Язык: Английский

In Situ Gas Analysis by Differential Electrochemical Mass Spectrometry for Advanced Rechargeable Batteries: A Review DOI
Suji Kim, Hyun‐Soo Kim, Boran Kim

и другие.

Advanced Energy Materials, Год журнала: 2023, Номер 13(39)

Опубликована: Авг. 18, 2023

Abstract Lithium‐ion batteries (LIBs) and beyond‐LIB systems exhibit properties that are determined by electrochemical reactions occurring in their four essential components—the cathode, anode, electrolyte, separator. Advanced analytical methods such as differential mass spectrometry (DEMS) can assist understanding the behavior, which help advancing battery technologies. Recent studies have shown DEMS‐enabled real‐time gas analysis of provide valuable information on aspects gaseous reactants or (side) products, cannot be obtained appropriately through other characterization techniques. This review aims to a comprehensive overview latest developments advancements use DEMS rapid, operando gas‐monitoring method for advanced rechargeable systems. Moreover, significance current future development is also discussed insights provided into various chemistries benefit from applications. intended readers understand potential drive innovation industry.

Язык: Английский

Процитировано

50

Recent Progress on Multifunctional Electrolyte Additives for High‐Energy‐Density Li Batteries – A Review DOI Creative Commons

Yue Lei,

Kaifeng Wang,

Sen Jiang

и другие.

ChemElectroChem, Год журнала: 2024, Номер 11(14)

Опубликована: Апрель 15, 2024

Abstract The improvement of the safety, specific energy, cycle life and cost reduction Li‐ion batteries are hot research topics. Now, in pursuit high energy density, employed high‐energy‐density cathode/anode materials increased operation voltage challenge prevalent electrolyte formula, like existing ester ether electrolytes cannot withstand high‐voltage high‐capacity anode such as lithium (Li), silicon (Si) silicon‐graphite (Si−C) composite anode. It is recognized that stable electrolyte‐electrode interfaces can avoid side reactions protect electrode materials. Up to now, various additives have been developed modify electrode‐electrolyte interfaces, famous 4‐fluoroethylene carbonate, vinylene carbonate nitrate, LIBs metal (LMBs) performances improved greatly. However, lifespan higher‐energy‐density with Li/Si/Si−C high‐nickel layer oxides cathode meet request due lack ideal formula. In this review, we present a comprehensive in‐depth overview on additives, especially focused multifunctional reaction mechanisms fundamental design. Finally, novel insights, promising directions potential solutions for proposed motivate Li battery chemistries.

Язык: Английский

Процитировано

10

Phase‐Transfer Catalyst for Lithium‐Oxygen Batteries Based on Bidirectional Coordination Catalysis: 2‐Aminopyridine DOI Open Access
Mengyao Huang,

Nan Wang,

Mengran Xie

и другие.

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Янв. 13, 2025

Abstract Li‐O 2 batteries are considered promising candidates for next generation high energy storage systems due to their exceptionally theoretical density. However, the accumulation of insulating discharge product Li O leads severe cathode passivation, reduced conductivity, and hindered charge transfer, which seriously compromise battery performance. This work proposes a novel phase‐transfer catalyst with bidirectional coordination functionality, 2‐aminopyridine (AP). The AP molecule contains nucleophilic pyridine nitrogen an electrophilic amino hydrogen, can interact + reactive oxygen intermediates through electrostatic attraction hydrogen bonding, respectively. dual interaction facilitates liquid‐phase deposition while enabling efficient decomposition. uneven potential distribution within generates internal electric field that stabilizes species, shields against attacks, suppresses at anode tips, effectively preventing lithium dendrite growth. Therefore, exhibit capacity 36419 mAh g −1 , significantly over‐potential 0.29 V, extended cycle life exceeding 2256 h. Through functional molecular structure design, catalytic effect demonstrated by molecules regulates migration substances during reactions, improves electrochemical performance batteries.

Язык: Английский

Процитировано

2

Illuminating the Future: Sunlight-Powered Catalysis Unlocks Next-Generation Li–O2 Battery Performance DOI

W L Niu,

Ning Zhao, Ru‐Shi Liu

и другие.

The Journal of Physical Chemistry Letters, Год журнала: 2025, Номер unknown, С. 1644 - 1651

Опубликована: Фев. 6, 2025

Lithium-oxygen (Li-O2) batteries have an extremely high theoretical specific energy but are hindered by the sluggish kinetics of oxygen evolution reaction (OER). Visible-light-assisted photocatalysts can accelerate OER kinetics. However, photoinvolved electrochemical process at cathode remains insufficiently understood, and interlaboratory results not comparable reproducible. In fact, sunlight or a xenon lamp as light source induces notable photothermal effect in batteries, while its impact on is always underappreciated. Here, self-illuminating photocatalyst composed g-C3N4 catalysts Sr2MgSi2O7:Eu,Dy phosphors designed to decouple photo thermal effects Typically, photocatalytic dominate low external illumination powers, increase linearly with power. This work provides quantitative basis for benchmarking catalytic performance various photocatalysts. Moreover, proof concept, this study offers new insights developing integrated photoassisted Li-O2 batteries.

Язык: Английский

Процитировано

1

Polarizability Engineering of Surface Flattening Molecular Dipoles for Fast and Long Lithium Metal Battery Operation DOI Creative Commons

Seo‐Young Jun,

Kihyun Shin, Yeji Lim

и другие.

Small Structures, Год журнала: 2024, Номер 5(7)

Опубликована: Март 15, 2024

To overcome the energy limitations of conventional Li‐ion batteries (LIB), renewed attention has been given to Li‐metal anodes, which provide highest capacity and lowest anode potential. realize (LMBs), it is crucial stabilize unwanted side reactions on surface inhibit problematic dendrite growth, causes short‐circuit issues. Herein, diverse pyrrolidone‐based molecular dipole additives controlled by different functional groups are introduced as trifunctional stabilizers. It discovered that Li–Li symmetric cell improves proportionally with molar volume corresponding polarizability values dipoles. The highly polarizable dipoles offer exceptional benefits, including flattening Li metal anode, controlling growth direction crystalline Li, forming durable solid electrolyte interface (SEI) components. study based polarizability‐controlled dipoles, offers an effective approach for designing advanced stabilizers develop high‐performance LMBs.

Язык: Английский

Процитировано

8

Molecular Dipoles as a Surface Flattening and Interface Stabilizing Agent for Lithium‐Metal Batteries DOI Creative Commons

Seo‐Young Jun,

Kihyun Shin, Jun‐Seo Lee

и другие.

Advanced Science, Год журнала: 2023, Номер 10(23)

Опубликована: Май 23, 2023

Reaching the border of capable energy limit in existing battery technology has turned research attention away from rebirth unstable Li-metal anode chemistry order to achieve exceptional performance. Strict regulation dendritic Li surface reaction, which results a short circuit and safety issues, should be achieved realize batteries. Herein, this study reports surface-flattening interface product stabilizing agent employing methyl pyrrolidone (MP) molecular dipoles electrolyte for cyclable The excellent stability electrode over 600 cycles at high current density 5 mA cm-2 been demonstrated using an optimal concentration MP additive. This identified flattening reconstruction crystal rearrangement behavior along stable (110) plane assisted by dipoles. stabilization anodes dipole agents helped develop next-generation storage devices anodes, such as Li-air, Li-S, semi-solid-state

Язык: Английский

Процитировано

16

D‐Band Center Regulation for Durable Catalysts and Constructing a Robust Hybrid Layer on Li Anode Enable Long‐Life Li‐O2 Batteries DOI
Fenglong Xiao,

Qingshan Bao,

Chaoyang Sun

и другие.

Advanced Energy Materials, Год журнала: 2024, Номер 14(15)

Опубликована: Март 8, 2024

Abstract Rechargeable Li‐O 2 batteries (LOBs) are regarded as promising candidates for the next generation of energy storage devices. One major impediments is poor cycle stability resulting from unreliable cathode catalysts and serious corrosion Li anode, hindering commercial application LOBs. Herein, a synergetic strategy proposed, including design stable Co 3 Ru catalyst via d‐band center modulation construction robust LiF/Sn/Li 5 Sn ‐PFDTMS hybrid protective layer on anode. Theoretical calculations reveal that negative shift provides dominant descriptor improving catalysis activity Ru‐based catalysts. In situ PFDTMS‐enhanced possesses excellent mechanical toughness, which can effectively shield anode corrosive reaction ensure good + transport. Consequently, LOBs exhibit long life 990 cycles (≈1980 h). This work confers concept high‐performance rationally constructing anodes.

Язык: Английский

Процитировано

6

LiF/Li3N‐Rich Electrode–Electrolyte Interfaces Enabled by Multi‐Functional Electrolyte Additive to Achieve High‐Performance Li/LiNi0.8Co0.1Mn0.1O2 Batteries DOI

Yue Lei,

Xin Xu, Junying Yin

и другие.

Small, Год журнала: 2024, Номер 20(34)

Опубликована: Апрель 21, 2024

Abstract LiPF 6 ‐based carbonate electrolytes have been extensively employed in commercial Li‐ion batteries, but they face numerous interfacial stability challenges while applicating high‐energy‐density lithium‐metal batteries (LMBs). Herein, this work proposes N‐succinimidyl trifluoroacetate (NST) as a multifunctional electrolyte additive to address these challenges. NST could optimize Li + solvation structure and eliminate HF/H 2 O the electrolyte, preferentially be decomposed on Ni‐rich cathode (LiNi 0.8 Co 0.1 Mn , NCM811) generate LiF/Li 3 N‐rich cathode‐electrolyte interphase (CEI) with high conductivity. The synergistic effect reduces decomposition inhibits transition metal (TM) dissolution. Meanwhile, promotes creation of solid (SEI) rich inorganics anode (LMA), which restrains growth dendrites, minimizes parasitic reactions, fosters rapid transport. As result, compared reference, Li/LiNi cell 1.0 wt.% exhibits higher capacity retention after 200 cycles at 1C (86.4% vs . 64.8%) better rate performance, even 9C. In presence NST, Li/Li symmetrical shows super‐stable cyclic performance beyond 500 h 0.5 mA cm −2 /0.5 mAh These unique features are promising solution for addressing deterioration issue high‐capacity cathodes paired LMA.

Язык: Английский

Процитировано

6

Ultra‐Long and Rapid Operating Sodium Metal Batteries Enabled by Multifunctional Polarizable Interface Stabilizer DOI

Seo‐Young Jun,

Kihyun Shin,

Chae Yeong Son

и другие.

Advanced Energy Materials, Год журнала: 2024, Номер 14(33)

Опубликована: Июль 3, 2024

Abstract Abundant and economical sodium (Na) metal batteries promise superior energy densities compared to lithium‐ion batteries; however, they face commercialization challenges owing problematic interfacial reactions leading dendrite formation during cycling. This paper reports the ultra‐long rapid operation of Na enabled by introduction a vinylpyrrolidone (VP)‐based multifunctional interface stabilizer in electrolyte. The VP electrolyte additive provides benefits such as surface flattening, durable solid interphase layer formation, preservation fresh Na, acceleration horizontal crystal growth along (110) plane. Symmetric Na–Na cells with exhibit notably stable for over 5 000 cycles at high current density mA cm −2 , surpassing previous research. Performance improvement is also demonstrated full‐cell configuration an 3 V 2 (PO 4 ) O F cathode. approach offers promising solution achieving performance levels comparable battery technology.

Язык: Английский

Процитировано

6

A polythiourea protective layer for stable lithium metal anodes DOI

Xiaoya He,

Zhu Liu, Yulian Yang

и другие.

Journal of Materials Chemistry A, Год журнала: 2023, Номер 11(19), С. 10155 - 10163

Опубликована: Янв. 1, 2023

A stable polythiourea-based organic–inorganic composite film was constructed to form Li 3 N, 2 S, and LiF in situ at the LMA, endowing excellent stability Ni-rich Li‖LiNi 0.88 Co 0.09 Mn 0.03 O (NCM88) cells.

Язык: Английский

Процитировано

13