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Готові списки джерел за темами / Diffusion du lithium / Статті в журналах

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Статті в журналах з теми "Diffusion du lithium"

Автор: Grafiati

Опубліковано: 29 березня 2025

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1

Jun, KyuJung, and Gerbrand Ceder. "(Battery Division Student Research Award Sponsored by Mercedes-Benz Research & Development) Rationalizing Fast Lithium-ion Diffusion in Inorganic Lithium Superionic Conductors." ECS Meeting Abstracts MA2023-02, no. 7 (December 22, 2023): 985. http://dx.doi.org/10.1149/ma2023-027985mtgabs.

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Анотація:

All-solid-state batteries are gaining attention due to the potential advantage that solid electrolytes provide in terms of safety and energy density. Understanding the mechanism of fast lithium-ion diffusion in inorganic materials has become one of the key challenges in materials science. Among various factors that affect lithium mobility, the topology of the crystal structure strongly dictates which materials can accommodate fast lithium-ion motion. Despite this, the intrinsic mechanism that connects the lithium-ion diffusion to the structural feature of the crystal structure and motion of the non-diffusing framework remains unclear, hindering the rational design of novel fast-conducting solid electrolytes. This talk focuses on the fundamental understanding of the structure-property relationship of lithium-ionic conductivities. We first discuss the structural factors governing fast lithium-ion diffusion in oxide materials. We find that both the topology of the lithium-ion diffusion network as well as the connectivity of the non-diffusing framework strongly affect lithium-ions diffusion in oxide materials. Structural features that allow lithium superionic conductivity in oxide materials are identified, which led to the discovery of 16 novel fast lithium-ion conducting frameworks. In the second part of the talk, we present our statistical framework for understanding the correlation between anion-group rotational motion and lithium-ion translational motion. Using event-detection algorithms on long ab-initio molecular dynamics trajectories, we detect and differentiate various types of rotational motion of anion groups. This allows us to obtain a statistically rigorous understanding of how each type of anion group rotational motion affects lithium-ion diffusion events. These fundamental understandings provide design guidelines towards the development of fast-diffusing inorganic materials optimal for all-solid-state batteries.

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2

Ociepa, Jozef. "The Search for the Materials That Are Attractive to "Natural" Li Diffusion." ECS Meeting Abstracts MA2022-02, no. 3 (October 9, 2022): 296. http://dx.doi.org/10.1149/ma2022-023296mtgabs.

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"Natural" Li diffusion is defined as the process of Li atom/ions migration under a concentration gradient and activated by thermal energy from atomic vibrations of the host structure at room temperature. This process of passive Li diffusion is important for a better understanding of the active diffusion processes that are happening in lithium-ion batteries (LIBs), where external energy component such as electrical potential is applied. It is expected that materials that exhibit good “natural” Li diffusion properties will perform much better under the external electrical potential. This approach offers a unique opportunity to observe the free movement of lithium atoms/ions into the solid structure and simplify the understanding of diffusion processes especially if single-crystal structures are used. The single-crystal structures are free from grain boundaries and the lithium diffusion process is limited to lattice diffusions such as interstitial, vacancies, and dislocations. This approach allows for categorizing materials that are attractive to lithium diffusion based on the pure lattice component. The characterizing techniques are Auger electron spectroscopy (AES) for tracing Lithium concentration on the surface (Li-KVV peak at 52 eV) and Low Energy Electron Diffraction (LEED) for surface crystallography changes. The lithium concentration gradient is created on the surface of the host material by the evaporation of ultra-thin film of lithium with an effective thickness of 10 Angstrom under ultra-high vacuum conditions. The data obtained from these experiments are showing different lithium diffusion behavior on the selected materials and there is an indication of three categories of the studied materials. 1-Rapid lattice diffusion of Li into HOPG and no change in the surface crystalline structure. 2-Moderate lattice diffusion of Li into CVD Diamond, SiC-6H, LiNbO3, and TiO2 and some change in the surface crystalline structure. 3-No lattice diffusion of Li into Si single crystals, Ga2O3 and SrTiO3, and no long-range order in the surface crystalline structure. Most likely rapid diffusion occurs only in graphite but there are several materials with moderate diffusion properties, and these are potential for novel LIBs electrodes or chemically stable interfaces with enhanced performance. The materials with passive no-diffusion properties present challenges in application to LIBs as there is a special need to create active diffusion paths because there is no lattice diffusion contribution. In addition, this method of tracing lithium passive diffusion using AES is suitable for comparing fabricated polycrystalline LIBs electrodes as a metrology tool for quality control.

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3

Xu, Gao, Feng Hao, Mouyi Weng, Jiawang Hong, Feng Pan, and Daining Fang. "Strong influence of strain gradient on lithium diffusion: flexo-diffusion effect." Nanoscale 12, no. 28 (2020): 15175–84. http://dx.doi.org/10.1039/d0nr03746j.

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4

Loburets, A. T., N. B. Senenko, M. A. Mukhtarov, Yu S. Vedula, and A. G. Naumovets. "Surface Diffusion in Coadsorbed Layers with Different Mobilities of Adsorbates: (Li +Dy) on Mo(112) and (Li+Sr) on W(112)." Defect and Diffusion Forum 277 (April 2008): 201–6. http://dx.doi.org/10.4028/www.scientific.net/ddf.277.201.

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Анотація:

With the aim to study the regularities of surface diffusion in coadsorbed layers, we investigated diffusion of lithium on the (112) surfaces of Mo and W precovered with submonolayers of dysprosium and strontium, which have substantially lower mobilities than lithium. Experiments were carried out using scanning contact-potential microscopy, and Li diffusion parameters were extracted from diffusional evolution of coverage profiles. Dy and Sr preadsorbed in amounts of ∼10–1 of a monolayer were found to reduce the diffusion rate of Li by orders of magnitude. The strong impact of coadsorbates with low mobility on Li diffusion can be caused by important role of collective mechanisms in surface diffusion, which entails pronounced pinning effects, as well as by the possibility of formation of surface alloys and surface vitrification.

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5

Roselieb, Knut, Marc Chaussidon, Denis Mangin, and Albert Jambon. "Lithium diffusion in vitreous jadeite (NaAlSi206): An ion microprobe investigation." Neues Jahrbuch für Mineralogie - Abhandlungen 172, no. 2-3 (May 1, 1998): 245–57. http://dx.doi.org/10.1127/njma/172/1998/245.

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6

Rupp, Rico, Bart Caerts, André Vantomme, Jan Fransaer, and Alexandru Vlad. "Lithium Diffusion in Copper." Journal of Physical Chemistry Letters 10, no. 17 (August 22, 2019): 5206–10. http://dx.doi.org/10.1021/acs.jpclett.9b02014.

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7

Park, Jong Hyun, Hana Yoon, Younghyun Cho, and Chung-Yul Yoo. "Investigation of Lithium Ion Diffusion of Graphite Anode by the Galvanostatic Intermittent Titration Technique." Materials 14, no. 16 (August 19, 2021): 4683. http://dx.doi.org/10.3390/ma14164683.

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Анотація:

Graphite is used as a state-of-the-art anode in commercial lithium-ion batteries (LIBs) due to its highly reversible lithium-ion storage capability and low electrode potential. However, graphite anodes exhibit sluggish diffusion kinetics for lithium-ion intercalation/deintercalation, thus limiting the rate capability of commercial LIBs. In order to determine the lithium-ion diffusion coefficient of commercial graphite anodes, we employed a galvanostatic intermittent titration technique (GITT) to quantify the quasi-equilibrium open circuit potential and diffusion coefficient as a function of lithium-ion concentration and potential for a commercial graphite electrode. Three plateaus are observed in the quasi-equilibrium open circuit potential curves, which are indicative of a mixed phase upon lithium-ion intercalation/deintercalation. The obtained diffusion coefficients tend to increase with increasing lithium concentration and exhibit an insignificant difference between charge and discharge conditions. This study reveals that the diffusion coefficient of graphite obtained with the GITT (1 × 10−11 cm2/s to 4 × 10−10 cm2/s) is in reasonable agreement with literature values obtained from electrochemical impedance spectroscopy. The GITT is comparatively simple and direct and therefore enables systematic measurements of ion intercalation/deintercalation diffusion coefficients for secondary ion battery materials.

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8

Dörrer, Lars, Philipp Tuchel, Daniel Uxa, and Harald Schmidt. "Lithium tracer diffusion in proton-exchanged lithium niobate." Solid State Ionics 365 (July 2021): 115657. http://dx.doi.org/10.1016/j.ssi.2021.115657.

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9

Zuo, Peng, and Ya-Pu Zhao. "A phase field model coupling lithium diffusion and stress evolution with crack propagation and application in lithium ion batteries." Physical Chemistry Chemical Physics 17, no. 1 (2015): 287–97. http://dx.doi.org/10.1039/c4cp00563e.

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10

Lee, Danwon, Chihyun Nam, Juwon Kim, Bonho Koo, Hyejeong Hyun, Jinkyu Chung, Sungjae Seo, et al. "(Battery Student Slam 8 Award Winner) Multi-Clustered Lithium Diffusion in Single-Crystalline NMC Battery Particles." ECS Meeting Abstracts MA2024-01, no. 5 (August 9, 2024): 704. http://dx.doi.org/10.1149/ma2024-015704mtgabs.

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Understanding the diffusion dynamics of lithium within solid-state electrodes is pivotal for developing high-performance batteries. In this context, layered oxides were utilized as a promising cathode material due to their high energy density and fast intraparticle lithium diffusivity. Despite advancements in material composition, coating, and doping, the understanding of intraparticle lithium diffusion has long been described by Fick's law. Conventionally, lithium diffusion is assumed to generate a monotonic lithium concentration gradient within solid-solution single-crystalline battery materials during cycling. This raises fundamental questions about diffusion in layered oxides; (1) Can the diffusion of Li in solids be interpreted as Fickian diffusion, similar to diffusion in gases or liquids, even though it involves structural and phase evolution throughout the battery cycle? and, (2) Does the fast diffusivity (10-11-10-9 cm2/s) support the homogenization of Li? In this study, we address these questions surrounding lithium diffusion in layered oxide by utilizing operando scanning transmission X-ray microscopy. We revealed the formation of mobile Li-dense/-dilute nano-domains within individual single-crystalline LiNi1/3Mn1/3Co1/3O2 (scNMC) during battery cycles. We term this phenomenon ‘multi-clustered lithium diffusion’, distinguishing our findings from the conventionally suggested Fickian diffusion model in solid-solution materials. These domains persist for at least 4 hours during relaxation, accompanied by locally residing strained domains, as confirmed by Bragg coherent diffraction imaging (BCDI), within a single particle. We believe these domains arise due to the compensation of localized chemical potential gradients that are generated by the sustained presence of strain within the battery particles during cycling. While maintaining integrity of Li-dense/-dilute domain at various C-rates, STXM result further show that Li-dilute domains maintain during the discharging. Given the lower concentration of Li at insertion boundaries, which could lower the surface charge transfer impedance of the system, Li-dilute domains facilitate lithium transport by functioning as low-resistance pathways. Through a comprehensive analysis of electrical impedance spectroscopy (EIS), STXM imaging and finite element analysis (FEA), we showed that controlling the local domain fraction is crucial for controlling the overpotential during subsequent charging. Our study introduces new insights into nanoscale solid-state diffusion, thereby enabling the fabrication of high-performance batteries. Figure 1

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11

Churikov, A. V., A. V. Ivanishchev, I. A. Ivanishcheva, I. M. Gamayunova, K. V. Zapsis, and V. O. Sycheva. "Lithium intercalation into thin-film lithium-tin and lithium-carbon electrodes: an impedance spectroscopy study." Electrochemical Energetics 7, no. 4 (2007): 169–74. http://dx.doi.org/10.18500/1608-4039-2007-7-4-169-174.

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Reversible lithium intercalation from a non-aqueous electrolyte into thin films of tin (0.1–1 mcm) and carbon (-3 mcm) was studied by means of electrode impedance spectroscopy. The measurements were made within a frequency range of 105–10-2 Hz at a varying lithium concentration in the matrix. The paper discusses several versions of electrical equivalent circuits to simulate the experimental impedance spectra, and the concentration dependence of the lithium diffusion coefficient. The formation of a solid electrolyte interphase at lithium intercalation into carbon and tin was detected. The order of magnitude of the lithium diffusion coefficient for the LixC6 and Li–Sn electrodes is 10-13–10-12 and 10-14–10-9 cm2/s, respectively.

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12

Schatzman, Evry. "Diffusion process produced by random internal waves." Journal of Fluid Mechanics 322 (September 10, 1996): 355–82. http://dx.doi.org/10.1017/s0022112096002820.

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The aim of the paper is to present a new transport process which is likely to have great importance for understanding the internal constitution of the stars.In order to set the problem in context, we first give a short presentation of the physical properties of the Sun and stars, described usually under the names Standard Solar Model or Standard Stellar Models (SSM). Next we show that an important shortcoming of SSM is that they do not explain the age dependence of the lithium deficiency of stars of known age: stars of galactic clusters and the Sun. It was suggested a long time ago that the presence of a macroscopic diffusion process in the radiative zone should be assumed, below the surface convective zone of solar-like stars. It is then possible for the lithium present in the convective zone to be carried to the thermonuclear burning level below the convective zone. The first assumption was that differential rotation generates turbulence and therefore that a turbulent diffusion process takes place. However, this model predicts a lithium abundance which is strongly rotation dependent, contrary to the observations. Furthermore, as the diffusion coefficient is large all over the radiative zone, it prevents the possibility of gravitational separation by diffusion and consequently leads to the impossibility of explaining the difference in helium abundance between the surface and the centre of the Sun. The consequence is obviously that we need to take into account another physical process.Stars having a mass M < 1.3M[odot ] have a convective zone which begins close to the stellar surface and extends down to a depth which is an appreciable fraction of the stellar radius. In the convective zone, strong stochastic motions carry, at least partially, heat transfer. These motions do not vanish at the lower boundary and generate internal waves into the radiative zone. These random internal waves are at the origin of a diffusion process which can be considered as responsible for the diffusive transport of lithium down to the lithium burning level. This is certainly not the only physical process responsible for lithium deficiency in main sequence stars, but its properties open the way to a completely consistent analysis of lithium deficiency.The model of generation of gravity waves is based on a model of heat transport in the convective zone by diving plumes. The horizontal component of the turbulent motion at the boundary of the convective zone is assumed to generate the horizontal motion of internal waves. The result is a large horizontal component of the diffusion coefficient, which produces in a short time an horizontally uniform chemical composition. It is known that gravity waves, in the absence of any dissipative process, cannot generate vertical mixing. Therefore, the vertical component of the diffusion coefficient is entirely dependent on radiative damping. It decreases quickly in the radiative zone, but is large enough to be responsible for lithium burning.Owing to the radial dependence of velocity amplitude, the diffusion coefficient increases when approaching the stellar centre. However, very close to the centre, nonlinear dissipative and radiative damping of internal waves become large and the diffusion coefficient vanishes at the very centre.

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13

Lee, Danwon, Chihyun Nam, Juwon Kim, Bonho Koo, Hyejeong Hyun, Jinkyu Chung, Sungjae Seo, et al. "Nanoscopic Strain-Associated Lithium Diffusion in Single-Crystalline NMC Battery Particles." ECS Meeting Abstracts MA2024-02, no. 1 (November 22, 2024): 51. https://doi.org/10.1149/ma2024-02151mtgabs.

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Анотація:

Understanding the dynamics of lithium diffusion within solid-state electrodes is pivotal for advancing high-performance batteries. Conventionally, lithium diffusion within solid-solution battery particles has been assumed to be solely driven in the direction of minimizing the concentration gradient, resulting in a monotonous lithium distribution. However, employing operando scanning transmission X-ray microscopy, this study has revealed the presence of non-monotonous dense and dilute concentration domains of lithium within individual single-crystalline LiNi1/3Mn1/3Co1/3O2 particles at the nanoscale during charging and discharging processes. Our findings advocate that the formation of Li-dense and -dilute domains is associated with nanoscopic non-uniform strain fields, challenging conventional solid-solution lithium diffusion models that rely solely on the concentration gradient as the driving force. Bragg coherent X-ray diffraction imaging verified such non-uniform nanoscopic intraparticle strain fields, which may cause the direction of lithium diffusion to deviate from the direction of the concentration gradient. Moreover, we have identified that Li-dilute domains near the surface could be manipulated in situ to enhance rate-capability. This study paves a new avenue for understanding solid-state diffusion at the nanoscale, enabling the fabrication of high-performance batteries. Figure 1

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14

Ahmed, Kazi, Jeffrey Bell, Rachel Ye, Bo Dong, Yige Li, Cengiz S. Ozkan, and Mihrimah Ozkan. "A Study of Diffusion in Lithium-ion Electrodes Under Fast Charging Using Electrochemical Impedance Spectroscopy." MRS Advances 2, no. 54 (2017): 3309–15. http://dx.doi.org/10.1557/adv.2017.451.

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ABSTRACTAn in-depth look at diffusion mechanics within lithium-ion electrodes under fast charging conditions is presented. Electrochemical impedance spectroscopy is used as the primary technique to investigate lithium diffusion within electrode material and in electrolyte near the electrode-electrolyte interface. Half-cells of silicon are charged under varying galvanostatic rates while obtaining impedance data. Collected data is analyzed with the help of an electrical equivalent circuit model that provides mechanical and electrochemical parameters for each instance. The novelty of this equivalent circuit partly lies in its ability to resolve between solid-phase diffusion and liquid-phase diffusion, both of which occur during cycling of a lithium-ion electrode. Observed patterns in the parameters of this circuit provide insight into impact of fast charging on mechanics of lithium diffusion, both inside the electrode matrix and within electrolyte.

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15

Persson, Kristin, Vijay A. Sethuraman, Laurence J. Hardwick, Yoyo Hinuma, Ying Shirley Meng, Anton van der Ven, Venkat Srinivasan, Robert Kostecki, and Gerbrand Ceder. "Lithium Diffusion in Graphitic Carbon." Journal of Physical Chemistry Letters 1, no. 8 (March 22, 2010): 1176–80. http://dx.doi.org/10.1021/jz100188d.

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16

Liu, P. "Diffusion of lithium in carbon." Solid State Ionics 92, no. 1-2 (November 1, 1996): 91–97. http://dx.doi.org/10.1016/s0167-2738(96)00465-1.

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17

Michaud, G., and G. Beaudet. "Lithium Abundance, Diffusion and Turbulence." Highlights of Astronomy 10 (1995): 459–60. http://dx.doi.org/10.1017/s1539299600011746.

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Richer & Michaud (1993) calculated a series of envelopes fully coupled to non-rotating, constant mass, stellar evolution models of hydrogen burning stars with masses in the range of 1.2 to 2.2 M⊙, typical of A and F main sequence stars. They included He settling. The location of the theoretically predicted gap of the Hyades agrees quite well with the observed one, a result obtained without the introduction of any free parameter. At temperatures above the gap, while the observed lithium abundances are within a factor of 2-3 of normal values, the theoretical calculated curve drops to very low values. Diffusion velocities being fairly small, any other physical process with larger or similar velocities can reduce the effect of diffusion and produce the observed results. Mass loss is one such process. Another difficulty with the present theory is the width of the gap. Observations show that the observed gap is wider than the calculated one in the Hyades. This also suggests that other physical processes play an important role.

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18

XU, G. "Lithium diffusion in WO3 films." Solid State Ionics 28-30 (September 1988): 1726–28. http://dx.doi.org/10.1016/0167-2738(88)90450-x.

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19

Dologlou, E. "Self-diffusion in solid lithium." Glass Physics and Chemistry 36, no. 5 (October 2010): 570–74. http://dx.doi.org/10.1134/s1087659610050056.

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20

Nuspl, Gerhard, Masataka Nagaoka, Kazunari Yoshizawa, Fumihito Mohri, and Tokio Yamabe. "Lithium Diffusion in LixCoO2Electrode Materials." Bulletin of the Chemical Society of Japan 71, no. 9 (September 1998): 2259–65. http://dx.doi.org/10.1246/bcsj.71.2259.

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21

Uzan-Saguy, C., C. Cytermann, B. Fizgeer, V. Richter, R. Brener, and R. Kalish. "Diffusion of Lithium in Diamond." physica status solidi (a) 193, no. 3 (October 2002): 508–16. http://dx.doi.org/10.1002/1521-396x(200210)193:3<508::aid-pssa508>3.0.co;2-h.

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22

Hukriede, J., B. Gather, D. Kip, and E. Krätzig. "Copper Diffusion into Lithium Niobate." physica status solidi (a) 172, no. 2 (April 1999): r3—r4. http://dx.doi.org/10.1002/(sici)1521-396x(199904)172:23.0.co;2-g.

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23

Rainone, Lauren. "The Development of Rechargeable Magnesium Batteries with Fullerene Cathodes." ECS Meeting Abstracts MA2024-02, no. 10 (November 22, 2024): 5043. https://doi.org/10.1149/ma2024-02105043mtgabs.

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Анотація:

Lithium-ion batteries have been used in energy storage applications including aviation, transportation, portable electronic devices, and more for decades. Magnesium batteries are being explored as an alternative to lithium-ion batteries because magnesium is more abundant, offers improved safety features, and has a higher volumetric capacity (3833 mAh/cm³ compared to lithium’s 2061 mAh/cm³). Despite these benefits, magnesium batteries do face some challenges. These include sluggish diffusion during cycling, caused by the reduced mobility of magnesium ions, and compatible cathode’s low capacities and working potentials. One potential solution to these challenges is the use of carbon cathodes in magnesium batteries. Carbon is used in lithium-ion battery electrodes because of its high stability, electrical conductivity, and low cost. The porous material can provide sufficient active sites enhancing the electrode performance. Fullerene is a carbon allotrope comprised of covalently bonded carbon atoms forming a spherical, cage-like structure. Fullerene cathodes are compatible with the diffusion of magnesium ions and can delocalize charges. Magnesium batteries with fullerene cathodes have the potential to have improved energy densities and diffusion rates which can enhance cycling capabilities. This work aims to fabricate optimized fullerene cathodes which are implemented in rechargeable magnesium batteries.

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24

O. V., Sreejith, Arunkumar Dorai, Junichi Kawamura, and Murugan Ramaswamy. "An insight into lithium-ion transport in germanium-doped lithium titanate anode through NMR spectroscopy and post-carbonization for anode applications in lithium-ion battery." Applied Physics Letters 122, no. 10 (March 6, 2023): 103904. http://dx.doi.org/10.1063/5.0139773.

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Adapting toward lithium titanate as a negative electrode for lithium-ion batteries led to the safest and long-lasting battery technology, especially for electric vehicle applications. However, the poor conductivity and lithium-ion diffusion of lithium titanate have to be addressed for widespread usage in next-generation E-mobility. The lithium-ion motion inside lithium titanate and germanium-doped lithium titanate was investigated through pulsed-field gradient nuclear magnetic resonance spectroscopy and temperature-dependent ionic conductivity studies. The superior charge carrier mobility of germanium enhanced the lithium-ion diffusion in lithium titanate significantly to 1.48 × 10−8 cm2 s−1 in Li4Ge0.1Ti4.9O12 at 500 °C. While germanium improves the ionic diffusion, an ex situ carbon coating was adapted over the sample for electronic conductivity enhancement. Samples with two different carbon contents (5 and 10 wt. %) were examined for electrochemical analysis. Significant improvements in battery performance were observed on carbon-coated germanium-doped lithium titanate. The carbon-coated sample gave superior initial performance (191 and 178 mAh g−1 for 10 and 5 wt. % carbon at 0.1C) than the pristine lithium titanate and preserved the exceptional capacity retention over a thousand cycles at 1C rate.

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25

Rüter, Christian E., Dominik Brüske, Sergiy Suntsov, and Detlef Kip. "Investigation of Ytterbium Incorporation in Lithium Niobate for Active Waveguide Devices." Applied Sciences 10, no. 6 (March 24, 2020): 2189. http://dx.doi.org/10.3390/app10062189.

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In this work, we report on an investigation of the ytterbium diffusion characteristics in lithium niobate. Ytterbium-doped substrates were prepared by in-diffusion of thin metallic layers coated onto x- and z-cut congruent substrates at different temperatures. The ytterbium profiles were investigated in detail by means of secondary neutral mass spectroscopy, optical microscopy, and optical spectroscopy. Diffusion from an infinite source was used to determine the solubility limit of ytterbium in lithium niobate as a function of temperature. The derived diffusion parameters are of importance for the development of active waveguide devices in ytterbium-doped lithium niobate.

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26

Ukshe, A. E., and E. A. Astafev. "The Analysis of Lithium Diffusion in the Cathode Material Particles of Primary Lithium-Manganese Cells by Measuring Electrochemical Noise and Magnetoresistance Relaxation." Электрохимия 59, no. 8 (August 1, 2023): 456–64. http://dx.doi.org/10.31857/s0424857023080091.

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The process of lithium diffusion in the cathode material of lithium-manganese chemical power sources (CPS) after a short-term discharge are analyzed by an analyzing of the relaxation parameters of electrochemical noise and the magnitude of the magnetoresistance of the layer of injected lithium. It is shown that fluctuations in the diffusion flow of lithium are the source of electrochemical noise in such CPS. The data obtained also confirm the assumption made in the literature about the formation of a poorly conducting phase with a spinel crystal structure during the discharge of an element in the surface layer of MnO2 particles, which inhibits the diffusion process.

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27

Rahn, Johanna, Erwin Hüger, Lars Dörrer, Benjamin Ruprecht, Paul Heitjans, and Harald Schmidt. "Self-Diffusion of Lithium in Amorphous Lithium Niobate Layers." Zeitschrift für Physikalische Chemie 226, no. 5-6 (June 2012): 439–48. http://dx.doi.org/10.1524/zpch.2012.0214.

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28

Takeda, Sahori, Yuria Saito, and Hideya Yoshitake. "Restricted Diffusion of Lithium Ions in Lithium Secondary Batteries." Journal of Physical Chemistry C 124, no. 47 (November 13, 2020): 25712–20. http://dx.doi.org/10.1021/acs.jpcc.0c07693.

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29

Birnie, Dunbar P., and Peter F. Bordui. "Defect‐based description of lithium diffusion into lithium niobate." Journal of Applied Physics 76, no. 6 (September 15, 1994): 3422–28. http://dx.doi.org/10.1063/1.357472.

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30

Wu, Kuan-Ching, Chieh-Ming Hsieh, and Bor Kae Chang. "First principles calculations on lithium diffusion near the surface and in the bulk of Fe-doped LiCoPO₄." Physical Chemistry Chemical Physics 24, no. 2 (2022): 1147–55. http://dx.doi.org/10.1039/d1cp04517b.

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The olivine phosphate LiCoPO4 is a prospective cathode material in high-voltage lithium-ion batteries. During lithium diffusion, the ions must overcome the diffusion energy barrier near the surface and in the bulk.

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31

Hong, Chaoyu, Qianyi Leng, Jianping Zhu, Shiyao Zheng, Huajin He, Yixiao Li, Rui Liu, Jiajia Wan, and Yong Yang. "Revealing the correlation between structural evolution and Li+ diffusion kinetics of nickel-rich cathode materials in Li-ion batteries." Journal of Materials Chemistry A 8, no. 17 (2020): 8540–47. http://dx.doi.org/10.1039/d0ta00555j.

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Slow lithium diffusion kinetics of H1 phase during discharge determines the initial irreversible capacity loss of NCM-based materials. By controlling lithium diffusion rate in the discharge process, extra capacity is obtained in the materials.

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32

Angarita-Gomez, Stefany, and Perla B. Balbuena. "Insights into lithium ion deposition on lithium metal surfaces." Physical Chemistry Chemical Physics 22, no. 37 (2020): 21369–82. http://dx.doi.org/10.1039/d0cp03399e.

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33

Korn, Andreas. "The ups and downs of inferred cosmological lithium." EPJ Web of Conferences 297 (2024): 01007. http://dx.doi.org/10.1051/epjconf/202429701007.

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Анотація:

I summarize the stellar side of the cosmological lithium problem(s). Evidence from independent studies is accumulating and indicates that stars may very well be fully responsible for lowering their surface lithium from the predicted primordial value to observed levels through internal element-transport mechanisms collectively referred to as atomic diffusion. While atomic diffusion can be modelled from first principles, stellar evolution uses a parametrized representation of convection making it impossible to predict convective-boundary mixing as a vital stellar process moderating atomic diffusion. More work is clearly needed here for a fully quantitative picture of lithium (and metallicity) evolution as stars age. Lastly, note that inferred stellar lithium-6 abundances have all but disappeared.

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34

Li, Xue-Feng, Jian-Rong Shi, Yan Li, Hong-Liang Yan, and Jing-Hua Zhang. "Meridional Circulation. I. A Formation Channel for Lithium-rich and Super-lithium-rich Red Clump Stars." Astrophysical Journal Letters 982, no. 1 (March 11, 2025): L4. https://doi.org/10.3847/2041-8213/adb833.

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Abstract Current observations indicate that stars with higher rotation rates appear to maintain more surface lithium, and the majority of lithium-rich giants are indeed red clump stars. Hence, we investigate the mechanisms behind lithium enrichment in rotating red clump stars and the pathways to forming lithium-rich red clump stars. Meridional circulation is prevalent in the radiative zone of rotating giants. We model its radial mixing as a diffusion process and derive the corresponding diffusion coefficient based on its material transfer effect. Due to uncertainties in numerical calculations, we consider an average diffusion effect. Additionally, certain limiting conditions for the radial velocity of meridional circulation are incorporated. With varying input rotation velocities, we simulate the lithium evolution for red clump stars with this model. Our results indicate that the material transfer effect due to meridional circulation can efficiently transport beryllium, produced by H burning, into the convective envelope. This meridional circulation can lead to lithium enrichment, with a maximum lithium abundance increment approaching 3.0 dex. Consequently, it is capable of forming both lithium-rich and super-lithium-rich red clump stars. The degree of lithium enrichment exhibits a strong positive correlation with the rotation velocity, i.e., faster red clump stars show more surface lithium. Furthermore, our models indicate that lithium-rich red clump stars are relatively young (∼106 yr), which aligns with observation evidence.

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35

Zhang, Ji-Guang, Edwin C. Tracy, David K. Benson, and Satyen K. Deb. "The influence of microstructure on the electrochromic properties of LixWO3 thin films: Part I. Ion diffusion and electrochromic properties." Journal of Materials Research 8, no. 10 (October 1993): 2649–56. http://dx.doi.org/10.1557/jmr.1993.2649.

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The chemical diffusion coefficients of lithium ions in LixWO3 films were investigated as a function of lithium concentration and film porosity. Thin films were deposited with different porosities by thermal evaporation of WO3 powder in various partial water pressures. Our results indicate that diffusion coefficients increase with film porosity and decrease with increasing lithium concentration. Large diffusion coefficients that were found for small lithium concentrations appear to be due to the contribution of protons generated from ion exchange reactions between lithium and water incorporated in the film. Simultaneous electrical and in situ optical measurements were carried out to study the effect of porosity on the electrochromic properties of LixWO3. The coloring efficiency of porous WO3 films increases by approximately 70% when deposited in partial water pressure of 10−4 Torr, but decreases with further increments in water pressure.

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36

Ku, Kyojin, Byunghoon Kim, Sung-Kyun Jung, Yue Gong, Donggun Eum, Gabin Yoon, Kyu-Young Park, et al. "A new lithium diffusion model in layered oxides based on asymmetric but reversible transition metal migration." Energy & Environmental Science 13, no. 4 (2020): 1269–78. http://dx.doi.org/10.1039/c9ee04123k.

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37

Hasegawa, Gen, Naoaki Kuwata, Yoshinori Tanaka, Takamichi Miyazaki, Norikazu Ishigaki, Kazunori Takada, and Junichi Kawamura. "Tracer diffusion coefficients of Li+ ions in c-axis oriented LixCoO2 thin films measured by secondary ion mass spectrometry." Physical Chemistry Chemical Physics 23, no. 3 (2021): 2438–48. http://dx.doi.org/10.1039/d0cp04598e.

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Анотація:

Lithium diffusion is a key factor in determining the charge/discharge rate of Li-ion batteries. Herein, we study the tracer diffusion coefficient of lithium ions in the c-axis oriented LiCoO₂ thin film using secondary ion mass spectrometry (SIMS).

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38

Meyer, Mathieu, Lydie Viau, Ahmad Mehdi, Sophie Monge, Patrick Judeinstein, and André Vioux. "What use for polysilsesquioxane lithium salts in lithium batteries?" New Journal of Chemistry 40, no. 9 (2016): 7657–62. http://dx.doi.org/10.1039/c6nj00979d.

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39

Wang, Jian, Hongzhen Lin, and Stefano Passerini. "Construction of Dendrite-Free Metallic Lithium Anodes: From Static Lithiophilic Adsorption to Dynamic Electrochemical Diffusion Kinetics." ECS Meeting Abstracts MA2023-02, no. 5 (December 22, 2023): 831. http://dx.doi.org/10.1149/ma2023-025831mtgabs.

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Анотація:

Lithium metal batteries (LMBs) possess high theoretical energy density, becoming a promising next-generation energy storage system.1, 2 However, the applications of Li metal anodes are restricted by the Li dendrite formation, repeated formation and fracturing of solid electrolyte interphase (SEI), and large volume expansion, resulting in severe “dead lithium” and subsequent short circuiting.3, 4 Herein, differing from conventional interfacial engineering or current-collector designs with numerous lithiophilic site, fundamental novel insights of Li plating kinetics via using single-atomic catalyst (SAC) activators to boost Li diffusion behaviors is proposed to realize delocalized deposition.5, 6 Specifically, via the aid of series of characterizations and theoretical simulations, the SACs have the ability in decreasing barriers of desolvation, Li ion transport or Li atom diffusion and we have unambiguously depicted that the SACs serve as kinetic activators in propelling the surface spreading and lateral redistribution of the lithium atoms for achieving dendrite-free plating morphology. Reference: Wang, J.; Hu, H.; Zhang, J.; Li, L.; Jia, L.; Guan, Q.; Hu, H.; Liu, H.; Jia, Y.; Zhuang, Q.; Cheng, S.; Huang, M.; Lin, H. Hydrophobic lithium diffusion-accelerating layers enables long-life moisture-resistant metallic lithium anodes in practical harsh environments. Energy Storage Mater. 2022, 52, 210-219. Zhang, J.; He, R.; Zhuang, Q.; Ma, X.; You, C.; Hao, Q.; Li, L.; Cheng, S.; Lei, L.; Deng, B.; Li, X.; Lin, H.; Wang, J. Tuning 4f-Center Electron Structure by Schottky Defects for Catalyzing Li Diffusion to Achieve Long-Term Dendrite-Free Lithium Metal Battery. Adv. Sci. (Weinh) 2022, 9, (23), e2202244. Wang, J.; Li, L.; Hu, H.; Hu, H.; Guan, Q.; Huang, M.; Jia, L.; Adenusi, H.; Tian, K. V.; Zhang, J.; Passerini, S.; Lin, H. Toward Dendrite-Free Metallic Lithium Anodes: From Structural Design to Optimal Electrochemical Diffusion Kinetics. ACS Nano 2022, 16, 17729−17760. Zhang, J.; You, C.; Lin, H.; Wang, J. Electrochemical Kinetic Modulators in Lithium–Sulfur Batteries: From Defect‐Rich Catalysts to Single Atomic Catalysts. Energy & Environmental Materials 2022, 5, (3), 731-750. Wang, J.; Zhang, J.; Cheng, S.; Yang, J.; Xi, Y.; Hou, X.; Xiao, Q.; Lin, H. Long-Life Dendrite-Free Lithium Metal Electrode Achieved by Constructing a Single Metal Atom Anchored in a Diffusion Modulator Layer. Nano Lett. 2021, 21, (7), 3245-3253. Wang, J.; Zhang, J.; Duan, S.; Jia, L.; Xiao, Q.; Liu, H.; Hu, H.; Cheng, S.; Zhang, Z.; Li, L.; Duan, W.; Zhang, Y.; Lin, H. Lithium Atom Surface Diffusion and Delocalized Deposition Propelled by Atomic Metal Catalyst toward Ultrahigh-Capacity Dendrite-Free Lithium Anode. Nano Lett. 2022, 22, (19), 8008-8017.

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40

Vettori, Kilian, Anja Henss, and Jürgen Janek. "Understanding Electrochemical Measurements of Lithium Diffusion in Porous LiNiO₂ Cathodes." ECS Meeting Abstracts MA2024-02, no. 2 (November 22, 2024): 219. https://doi.org/10.1149/ma2024-022219mtgabs.

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Анотація:

The chemical diffusion coefficient of lithium in cathode active materials is one of the key parameters determining battery performance. Fast diffusion allows fast charging and access to higher capacities before the potential limits of typical cycling routines are reached. Understanding the measurement of this crucial parameter through simple, non-invasive, in-situ electrochemical methods facilitates the investigation and optimization of cathode active materials for lithium-ion batteries. In this presentation, these electrochemical procedures are applied to LiNiO2 cathodes as a model system of the Ni-rich cathode active materials in liquid electrolyte cells. These measurement routines have a history of almost 5 decades and have been adapted and modified since then. Recently they have received renewed interest for the reasons mentioned above. The presented electrochemical methods, including variations of galvanostatic and potentiostatic intermittent titration techniques (GITT and PITT), electrochemical impedance spectroscopy (EIS) and newer adaptations such as the Atlung method for intercalant diffusion (AMID) and Intermittent current interruption (ICI), are compared and reviewed with respect to underlying physical concepts of solid state diffusion and their application in typical porous cathodes for liquid electrolyte lithium ion batteries. Figure 1 gives a schematic view of lithium concentration in a cathode particle during delithiation and its relation to the electrode potential and the diffusion process. The aim of this presentation is to enable more researchers to include diffusion measurements into their experiments and to facilitate the choice of method by comparing different techniques. By revisiting the fundamentals of solid state diffusion, it allows a deeper understanding of the chemical lithium diffusion coefficient and its measurement. Figure 1

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41

Sundari, C. D. D., P. Fitriani, I. M. Arcana, and F. Iskandar. "Correlation between lithium-ion diffusion and coordination environment in solid polymer electrolytes: a molecular dynamics study." Journal of Physics: Conference Series 2734, no. 1 (March 1, 2024): 012051. http://dx.doi.org/10.1088/1742-6596/2734/1/012051.

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Abstract Lithium-ion diffusion in solid polymer electrolytes (SPEs) is a pivotal characteristic that significantly influences overall lithium-ion battery performance. This characteristic can be affected by the coordination environment of lithium ions within the polymer matrix. However, the correlation between lithium-ion diffusion and its coordination environment in biopolymer-based SPEs such as carboxymethyl chitosan (CMCS) remains understudied. In this study, we used molecular dynamics (MD) simulations to investigate this correlation. Lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) was used as the lithium salt in the simulated systems. All MD simulations were conducted using the GROMACS package with the general AMBER force field (GAFF). The coordination structures around Li+ were successfully estimated using the radial distribution function obtained from the MD simulations. These results indicate a preference for Li+ coordination with oxygen atoms, both from the CMCS polymer chains (OCMCS) and TFSI− ions (OTFSI-). The coordination number between Li+ and OCMCS decreases as the concentration of LiTFSI increases. The diffusion coefficients of Li+ varied depending on the concentration of LiTFSI and demonstrated a sensitivity to the coordination structure of Li+. A high diffusion coefficient of Li+ ions was observed at low LiTFSI concentrations, where Li+ was primarily coordinated with oxygen atoms from the CMCS polymer chains.

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42

Ha, Nguyen Thi Thanh. "The influence of pressure on the structural transformation and diffusion mechanism in lithium-silicate melt: Molecular dynamics simulation." International Journal of Modern Physics B 34, no. 32 (November 11, 2020): 2050312. http://dx.doi.org/10.1142/s0217979220503129.

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The structural transformation and diffusion mechanism of lithium-silicate melt is carried by molecular dynamics method. In order to investigate the nature of the pressure-induced structural transformations, the pair radial distribution function (PRDF), distribution of SiO[Formula: see text], OSi[Formula: see text] and LiO[Formula: see text] coordination units, bond angle distribution (BAD) and bond distance distribution (BDD) are analyzed. The investigation reveals that there is a structural transformation in the structure of lithium-silicate. The addition of alkali oxides results in the formation of nonbridging oxygens (NBOs) by disruption of the Si–O network and it has a slight effect on the topology of SiO[Formula: see text] and OSi[Formula: see text] units. Furthermore, we show that the diffusion of network-former atom in lithium-silicate melt is anomaly and Li atoms have significantly faster diffusion rate than those of oxygen or silicon atoms. Therefore, there is an existence of two diffusion mechanisms in lithium-silicate.

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43

Shirakawa, Junichi, H. Ikuta, Y. Uchimoto, and M. Wakihara. "Lithium Diffusion in Li_1-2yCo_1+y VO₄ for Cathode Materials in Lithium-Ion Cells." Defect and Diffusion Forum 237-240 (April 2005): 1022–30. http://dx.doi.org/10.4028/www.scientific.net/ddf.237-240.1022.

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Lithium diffusion properties of Li1-2yCo1+yVO4 (y = 0, 0.05, 0.1) with inverse spinel structure as cathode materials for a Li-ion battery were investigated in view of lithium vacancies. >From galvanostatic intermittent titration technique (GITT) analysis, it is evaluated that diffusion coefficients of lithium ion DLi in Li1-xCoVO4 were decreasing from about 10-10 cm2 s-1 (x = 0.05) to 10-12 cm2 s-1 (x = 0.4), and also decreasing for Li1-2y-xCo1+yVO4 in spite of production for lithium vacancies that is related to pre-exponential factor D0. EXAFS analysis revealed that the Debye-Waller factors which corresponded to the local distortion of each V-O and Co-O bonds were increasing by production of cation vacancies, indicating that the large local distortion of the lattice around vanadium and cobalt ions occurred. The result suggested that lithium diffusion path in these materials was disturbed by the local distortion and caused increasing the activation energy DG‡.

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44

Bilyk, Stepan A., Vladimir A. Tverskoy, Alexander V. Chernyak, Irina A. Avilova, Nikita A. Slesarenko, and Vitaly I. Volkov. "Water Molecules’ and Lithium Cations’ Mobility in Sulfonated Polystyrene Studied by Nuclear Magnetic Resonance." Membranes 13, no. 8 (August 10, 2023): 725. http://dx.doi.org/10.3390/membranes13080725.

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The hydration of ions and charge groups controls electro mass transfer through ion exchange systems. The self-diffusion and local mobility of water molecules as well as lithium cations in poly (4-styrenesulfonic acid) and its lithium, sodium and cesium salts were investigated for the first time using pulsed-field gradient NMR (PFG NMR) and NMR relaxation techniques. The temperature dependences of the water molecule and Li+ cation self-diffusion coefficients exhibited increasing self-diffusion activation energy in temperature regions below 0 °C, which is not due to the freezing of parts of the water. The self-diffusion coefficients of water molecules and lithium cations, as measured using PFG NMR, are in good agreement with the self-diffusion coefficients calculated based on Einstein’s equation using correlation times obtained from spin-lattice relaxation data. It was shown that macroscopic water molecules’ and lithium cations’ transfer is controlled by local particles jumping between neighboring sulfonated groups. These results are similar to the behavior of water and cations in sulfonic cation exchanger membranes and resins. It was concluded that polystyrenesulfonic acid is appropriate model of the ionogenic part of membranes based on this polymer.

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45

Huang, Yu-Kai, and Leif Nyholm. "Influence of Lithium Diffusion into Copper Current Collectors on Lithium Electrodeposition in Anode-Free Lithium-Metal Batteries." ECS Meeting Abstracts MA2023-02, no. 20 (December 22, 2023): 1275. http://dx.doi.org/10.1149/ma2023-02201275mtgabs.

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Анотація:

With increasing demands for lithium-based batteries that have higher energy densities, access to better negative electrode materials becomes crucial. Lithium metal which has a very high theoretical specific capacity, a very low standard potential and a very low density can be considered one of the best negative electrode materials for next-generation lithium-based batteries. In order to fully exploit the merits of lithium metal, a cell configuration in which lithium is directly electrodeposited (and then stripped) on (from) the negative electrode current collector (i.e., copper foil) is essential. Such “anode-material-free” (or ”anode-free”) lithium-metal batteries can have significantly higher gravimetric and volumetric energy densities than conventional graphite-based lithium-ion batteries. However, poor control of the lithium electrodeposition directly on the copper current collector, especially in conventional carbonate electrolytes, limits the development of such batteries. It is therefore essential to improve the understandings of the lithium electrodeposition, especially its nucleation process, and the interactions between lithium and the copper substrate. According to the classical electrodeposition theory, a larger overpotential will lead to a decrease in both the critical free energy for the nucleation and the critical radius of the nuclei, which should facilitate the nucleation process since more clusters can reach the critical radius required to form stable nuclei with a lower energy barrier. The concept was utilized via the application of a potentiostatic nucleation pulse to attain two-dimensional instantaneous lithium nucleation on lithium-metal electrodes in a previous study by Rehnlund et al.[1] Using such a strategy should also provide some insights into the lithium nucleation on copper substrates. In addition, it is also important to consider interactions between lithium and the copper substrate. A study, in which Lv et al.[2] used operando neutron diffraction to track the spatial distribution of lithium during lithium electrodeposition and stripping on copper, revealed that some lithium was actually taken up by the copper substrates most likely via the grain boundaries during the electrodeposition. In other studies by Rehnlund et al., the results also showed that lithium can diffuse into copper and that the effect of this diffusion can be readily seen after electrodepositing a small amount of lithium (as would be the case during the lithium nucleation stage).[3,4] However, the relation between such a lithium diffusion behavior and the lithium nucleation on copper substrates is not clearly studied. With a series of electrodeposition experiments, we demonstrate that it is highly possible that the lithium diffusion into the copper substrate can influence the nucleation process. Due to the presence of such diffusion, small lithium clusters and nuclei may be lost during the nucleation process, which makes it difficult to obtain a larger number of lithium nuclei with a homogeneous distribution on the copper surface. This then leads to inhomogeneous lithium electrodeposits with poor morphologies. It is, however, demonstrated that the nucleation of lithium on copper can be significantly improved if an initial chemical prelithiation of the copper surface is performed. This prelithiation saturates the copper surface with lithium and hence decreases the influence of lithium diffusion via the grain boundaries. In this way, the lithium nucleation can be made to take place more homogenously on the copper surface, especially when a short potentiostatic nucleation pulse that can generate a large number of nuclei is used. [1] D. Rehnlund, C. Ihrfors, J. Maibach, L. Nyholm, Mater. Today 21 (2018) 1010–1018. [2] S. Lv, T. Verhallen, A. Vasileiadis, F. Ooms, Y. Xu, Z. Li, Z. Li, M. Wagemaker, Nat. Commun. 9 (2018) 1–12. [3] D. Rehnlund, F. Lindgren, S. Böhme, T. Nordh, Y. Zou, J. Pettersson, U. Bexell, M. Boman, K. Edström, L. Nyholm, Energy Environ. Sci. 10 (2017) 1350–1357. [4] D. Rehnlund, J. Pettersson, K. Edström, L. Nyholm, ChemistrySelect 3 (2018) 2311–2314.

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46

Wang, Zhongli, Mallory Gobet, Vincent Sarou-Kanian, Dominique Massiot, Catherine Bessada, and Michaël Deschamps. "Lithium diffusion in lithium nitride by pulsed-field gradient NMR." Physical Chemistry Chemical Physics 14, no. 39 (2012): 13535. http://dx.doi.org/10.1039/c2cp42391j.

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47

Strauß, Florian, Erwin Hüger, Jaakko Julin, Frans Munnik, and Harald Schmidt. "Lithium Diffusion in Ion-Beam Sputter-Deposited Lithium–Silicon Layers." Journal of Physical Chemistry C 124, no. 16 (March 27, 2020): 8616–23. http://dx.doi.org/10.1021/acs.jpcc.0c01244.

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48

Köhler, Mathias, Frank Berkemeier, Tobias Gallasch, and Guido Schmitz. "Lithium diffusion in sputter-deposited lithium iron phosphate thin-films." Journal of Power Sources 236 (August 2013): 61–67. http://dx.doi.org/10.1016/j.jpowsour.2013.02.043.

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49

Kubota, Keigo, Zyun Siroma, Hikaru Sano, Susumu Kuwabata, and Hajime Matsumoto. "Diffusion of Lithium Cation in Low-Melting Lithium Molten Salts." Journal of Physical Chemistry C 122, no. 8 (February 15, 2018): 4144–49. http://dx.doi.org/10.1021/acs.jpcc.7b11281.

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50

Papazian, J. M., and R. L. Schulte. "Lithium diffusion in aluminum-lithium alloy 2090 clad with 7072." Metallurgical Transactions A 21, no. 1 (January 1990): 39–43. http://dx.doi.org/10.1007/bf02656422.

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