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Active vs. Passive: The Role of Ceramic Particles in Solid Composite Polymer Electrolytes for Lithium Batteries
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.ORCID iD: 0009-0006-2615-3269
2024 (English)Doctoral thesis, comprehensive summary (Other academic)
Description
Abstract [en]

Since the state-of-the-art Li-ion batteries are close to reaching their theoretical limit in energy density, it becomes crucial to develop next-generation batteries that enable better safety, higher energy density, and longer lifetime. One such next-generation technology is solid-state batteries, employing solid-state electrolytes. Both polymer and inorganic electrolytes are well-explored in this context. While polymers are flexible and easily processable, their ionic conductivities are generally insufficient. Inorganic ceramics can be good ionic conductors, but display interfacial issues. Therefore, combining polymeric and ceramic material in composites polymer electrolytes (CPEs) can – in principle – be beneficial to merge the advantages of both categories. However, it is still unclear how to best construct such systems, and how the ions are actually transported in them. 

This thesis explores ionic transport in CPEs, both with ion-conducting (“active”) and non-ion-conducting (“passive”) ceramic fillers. The focus is on the amorphous polymer material poly(trimethylene carbonate) (PTMC), the active ceramic filler Li7La3Zr2O12 (LLZO), and the passive ceramic fillers LiAlO2 (LAO) and NaAlO2 (NAO). The ionic transport mechanism in PTMC:LLZO CPEs is determined to be dependent on two main factors: particle loading and surface chemistry. An increase in ionic conductivity up to 30 wt% of Li7La3Zr2O12 is seen due to formation of additional transport pathways along the polymer-ceramic interfaces, while higher loadings affect the ionic conductivity negatively. While this can partly be explained by particle agglomeration, the presence of Li2CO3 on the Li7La3Zr2O12 surface also contributes to retard the ionic movement along the interfaces. Therefore, boric acid treatment is explored as a strategy to enable a Li2CO3-free surface of Li7La3Zr2O12 particles, which renders improved ionic transport and battery performance. Boron-treated Li7La3Zr2O12 shows formation of LiBO2, which yields a negative zeta-potential, indicative of interactions between the ceramic particles and Li+ ions. That the surface chemistry – rather than the bulk – of the ceramic filler ultimately controls the overall transport, opens the door towards employment of passive fillers. It is shown that LiAlO2  particles can increase the ionic conductivity by one order of magnitude and the Li+ transference number to almost 1, effectively rendering the LiAlO2-based CPE a single-ion conductor. These enhanced ionic transport properties can be explained by the ability of LiAlO particles to promote better ion-ion separation through the attraction of negatively charged TFSI anions to the surface. This renders considerably improved battery performance, enabling cycling in Li||NMC cells. Similar effects are also seen for the analogous Na-ion battery system. 

Thereby, considering that the bulk conductivity of active fillers does not contribute to the overall ionic conduction in CPEs, and that passive fillers such as LiAlO2  can greatly enhance the ionic transport because of its surface chemistry enabling greater ion-ion separation and favorable transport pathways, this thesis provides guidelines for future design of solid-state conductors for Li- and Na-batteries. 

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2024. , p. 75
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 2473
Keywords [en]
Composite polymer electrolytes, ceramic filler, PTMC, Li7La3Zr2O12, LiAlO2, ionic transport, polymer-ceramic interfaces, solid-state batteries
National Category
Materials Chemistry
Research subject
Chemistry with specialization in Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-543243ISBN: 978-91-513-2306-0 (print)OAI: oai:DiVA.org:uu-543243DiVA, id: diva2:1914589
Public defence
2025-01-17, Lecture Hall Heinz-Otto Kreiss, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 13:15 (English)
Opponent
Supervisors
Available from: 2024-12-11 Created: 2024-11-19 Last updated: 2024-12-11
List of papers
1. Ionic transport in solid-state composite poly(trimethylene carbonate)-Li6.7Al0.3La3Zr2O12 electrolytes: The interplay between surface chemistry and ceramic particle loading
Open this publication in new window or tab >>Ionic transport in solid-state composite poly(trimethylene carbonate)-Li6.7Al0.3La3Zr2O12 electrolytes: The interplay between surface chemistry and ceramic particle loading
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2023 (English)In: Electrochimica Acta, ISSN 0013-4686, E-ISSN 1873-3859, Vol. 462, article id 142785Article in journal (Refereed) Published
Abstract [en]

The ionic transport in solid-state composite electrolytes based on poly(trimethylene carbonate) (PTMC) with LiTFSI salt and garnet-type ion-conducting Li6.7Al0.3-La3Zr2O12 (LLZO) ceramic particles is here investigated for a range of different compositions. Positive effects on ionic conductivity have previously been reported for LLZO incorporated into poly(ethylene oxide) (PEO), but the origin of these effects is unclear since the inclusion of particles also affects polymer crystallinity. PTMC is, in contrast to PEO, a fully amorphous polymer, and therefore here chosen for the design of a more straight-forward composite electrolyte (CPE) system to study ionic transport. With LLZO loadings ranging from 5 to 70 wt%, the CPE with 30 wt% of LLZO exhibits the highest ionic conductivity with a cationic transference number of 0.94 at 60 degrees C. This is significantly higher than for the pristine PTMC polymer electrolyte. Generally, low to moderate LLZO loadings display a gradual increase of the ionic conductivity, transference number and also of the polymer-cation coordination number. The combined contributions of ionic transport along polymer-ceramic interfaces and Lewis acid-base interaction between the LLZO particles and the LiTFSI salt can explain this enhancement. With loadings of LLZO above 50 wt%, a detrimental effect on the ionic conductivity was however observed. This could be explained by agglomeration of ceramic particles, and by a partial coverage of LLZO particles with a Li2CO3 layer. Consequently, inner polymer-particle interfaces become more resistive, and Li+conduction is prevented along interfacial pathways. The presence of Li2CO3 has more detrimental impact at higher LLZO loadings, since inter-particle connectivity will be hampered, and this is vital for efficient ionic transport. This suggests that there is an interplay between the LLZO particle surface chemistry with its loading, which ultimately controls the Li-ion transport.

Place, publisher, year, edition, pages
ElsevierElsevier BV, 2023
National Category
Materials Chemistry Polymer Chemistry Inorganic Chemistry
Identifiers
urn:nbn:se:uu:diva-508869 (URN)10.1016/j.electacta.2023.142785 (DOI)001032694100001 ()
Funder
EU, Horizon 2020, 860403Knut and Alice Wallenberg Foundation, 139501042)StandUpEU, Horizon 2020, 772777
Available from: 2023-08-11 Created: 2023-08-11 Last updated: 2024-12-03Bibliographically approved
2. Enabling High-Voltage Polymer-Based Solid-State Batteries through Reinforcements with LiAlO2 Fillers
Open this publication in new window or tab >>Enabling High-Voltage Polymer-Based Solid-State Batteries through Reinforcements with LiAlO2 Fillers
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(English)Manuscript (preprint) (Other academic)
Keywords
Composite electrolytes, Li+ transference number, ionic conductivity, polycarbonate, LiAlO2, solid-state battery
National Category
Materials Chemistry
Research subject
Chemistry with specialization in Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-542704 (URN)
Available from: 2024-11-13 Created: 2024-11-13 Last updated: 2024-11-19
3. Improved Sodium Ion Conduction in Polycarbonate-Based Electrolytes by Addition of NaAlO2 Microparticles
Open this publication in new window or tab >>Improved Sodium Ion Conduction in Polycarbonate-Based Electrolytes by Addition of NaAlO2 Microparticles
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(English)Manuscript (preprint) (Other academic)
National Category
Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-543088 (URN)
Available from: 2024-11-18 Created: 2024-11-18 Last updated: 2024-11-19
4. Interfacial Structure and Reactions in LLZO-doped Polycarbonate-based Composite Polymer Electrolytes
Open this publication in new window or tab >>Interfacial Structure and Reactions in LLZO-doped Polycarbonate-based Composite Polymer Electrolytes
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(English)Manuscript (preprint) (Other academic)
National Category
Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-543089 (URN)
Available from: 2024-11-18 Created: 2024-11-18 Last updated: 2024-12-02
5. Boron Surface Treatment of Li7La3Zr2O12 Enabling Solid Composite Electrolytes for Li-Metal Battery Applications
Open this publication in new window or tab >>Boron Surface Treatment of Li7La3Zr2O12 Enabling Solid Composite Electrolytes for Li-Metal Battery Applications
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2024 (English)In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, article id e202401304Article in journal (Refereed) Epub ahead of print
Abstract [en]

Despite being promoted as a superior Li-ion conductor, lithium lanthanum zirconium oxide (LLZO) still suffers from a number of shortcomings when employed as an active ceramic filler in composite polymer–ceramic solid electrolytes for rechargeable all-solid-state lithium metal batteries. One of the main limitations is the detrimental presence of Li2CO3 on the surface of LLZO particles, restricting Li-ion transport at the polymer–ceramic interfaces. In this work, a facile way to improve this interface is presented, by purposely engineering the LLZO particle surfaces for a better compatibility with a PEO:LiTFSI solid polymer electrolyte matrix. It is shown that a surface treatment based on immersing LLZO particles in a boric acid solution can improve the LLZO surface chemistry, resulting in an enhancement in the ionic conductivity and cation transference number of the CPE with 20 wt % of boron-treated LLZO particles compared to the analogous CPE with non-treated LLZO. Ultimately, an improved cycling performance and stability in Li//LiFePO4 cells was also demonstrated for the modified material.

Place, publisher, year, edition, pages
Wiley-VCH Verlagsgesellschaft, 2024
National Category
Materials Chemistry
Research subject
Chemistry with specialization in Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-531332 (URN)10.1002/cssc.202401304 (DOI)
Funder
StandUpSwedish Foundation for Strategic Research, ST19-0095VinnovaEU, Horizon 2020, 771777
Available from: 2024-06-12 Created: 2024-06-12 Last updated: 2024-11-19Bibliographically approved

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