| 1. |
- Agostini, Marco, 1987, et al.
(författare)
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Designing Highly Conductive Functional Groups Improving Guest-Host Interactions in Li/S Batteries
- 2020
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Ingår i: Small. - : Wiley. - 1613-6810 .- 1613-6829. ; 16:2
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Tidskriftsartikel (refereegranskat)abstract
- Li-sulfur batteries are of great interest due to their potential to surpass the energy densities of other battery types, but the low electronic conductivity of both sulfur and its discharge products requires the use of a conductive host material. The most common is the use of different porous carbons which normally are hydrophobic and hardly retain the polar discharge products of the Li/S reaction, such as Li2S and lithium polysulfides (LiPs), at the working electrode. Functionalized hosts have been proposed as a strategy to improve LiPs interactions, including the use of heteroatom doping, organic frameworks, metals, metal oxides, sulfide particles, and conductive polymers. Despite demonstrating an improved cycle life, the functionalized structures often have an intrinsic limitation related to a low electronic conductivity resulting in slow kinetics and poor rate capability of Li/S cells. Herein, recent research trends aimed at designing sulfur electrodes with highly conductive functional groups on nanostructured hosts surface are reviewed. The main concepts, key developments, and parameters for building 3D hosts architectures that enable fast charge rates and long cycle life at high sulfur loadings are discussed.
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| 2. |
- Atkins, Duncan, et al.
(författare)
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Accelerating Battery Characterization Using Neutron and Synchrotron Techniques: Toward a Multi-Modal and Multi-Scale Standardized Experimental Workflow
- 2022
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Ingår i: Advanced Energy Materials. - : Wiley. - 1614-6840 .- 1614-6832. ; 12:17
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Tidskriftsartikel (refereegranskat)abstract
- Li-ion batteries are the essential energy-storage building blocks of modern society. However, producing ultra-high electrochemical performance in safe and sustainable batteries for example, e-mobility, and portable and stationary applications, demands overcoming major technological challenges. Materials engineering and new chemistries are key aspects to achieving this objective, intimately linked to the use of advanced characterization techniques. In particular, operando investigations are currently attracting enormous interest. Synchrotron- and neutron-based bulk techniques are increasingly employed as they provide unique insights into the chemical, morphological, and structural changes inside electrodes and electrolytes across multiple length scales with high time/spatial resolutions. However, data acquisition, data analysis, and scientific outcomes must be accelerated to increase the overall benefits to the academic and industrial communities, requiring a paradigm shift beyond traditional single-shot, sophisticated experiments. Here a multi-scale and multi-technique integrated workflow is presented to enhance bulk characterization, based on standardized and automated data acquisition and analysis for high-throughput and high-fidelity experiments, the optimization of versatile and tunable cells, as well as multi-modal correlative characterization. Furthermore, new mechanisms, methods and organizations such as artificial intelligence-aided modeling-driven strategies, coordinated beamtime allocations, and community-unified infrastructures are discussed in order to highlight perspectives in battery research at large scale facilities.
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| 3. |
- Brige, Amandine, et al.
(författare)
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A comparative study of hydroxyethylcellulose-based solid polymer electrolytes for solid state Zn batteries
- 2023
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Ingår i: NANO SELECT. - : Wiley. - 2688-4011. ; 4:1, s. 102-111
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Tidskriftsartikel (refereegranskat)abstract
- Rechargeable zinc metal batteries are greener and safer alternative to lithium batteries, but they suffer from poor reversibility due to growth of zinc dendrites and water splitting reactions of aqueous electrolytes. One strategy to overcome these drawbacks is replacing aqueous electrolyte with solid polymer electrolyte (SPE). In this work, we examine the possibility of fabricating solid electrolyte from a bio-based polymer, hydroxyethylcellulose (HEC), with the aim to further increase the sustainability of zinc batteries. Various types of zinc salts, drying procedures and the salt concentrations are investigated for their impact on the ionic conductivity, structure, and phase behavior of as-prepared polymer electrolytes. It is found that HEC has a good film-forming ability compared with commonly used poly(ethylene oxide) but its low salt-dissociation capability leads to an ionic conductivity of 10(-6) S cm(-1) even at the elevated temperature of 110 degrees C, hindering the possibility of solely utilizing HEC as matrix of solid electrolyte. Our results suggest that introducing a new polymer with higher salt-dissociation capability or lower glass transition temperature into the HEC matrix can be a reliable way to build solid polymer electrolytes with sufficient ionic conductivity and good mechanical property for future zinc batteries.
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| 4. |
- Calcagno, Giulio, 1990, et al.
(författare)
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Effect of Nitrogen Doping on the Performance of Mesoporous CMK-8 Carbon Anodes for Li-Ion Batteries
- 2020
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Ingår i: Energies. - : MDPI AG. - 1996-1073 .- 1996-1073. ; 13:19
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Tidskriftsartikel (refereegranskat)abstract
- Designing carbonaceous materials with heightened attention to the structural properties such as porosity, and to the functionalization of the surface, is a growing topic in the lithium-ion batteries (LIBs) field. Using a mesoporous silica KIT-6 hard template, mesoporous carbons belonging to the OMCs (ordered mesoporous carbons) family, namely 3D cubic CMK-8 and N-CMK-8 were synthesized and thoroughly structurally characterized. XPS analysis confirmed the successful introduction of nitrogen, highlighting the nature of the different nitrogen atoms incorporated in the structure. The work aims at evaluating the electrochemical performance of N-doped ordered mesoporous carbons as an anode in LIBs, underlining the effect of the nitrogen functionalization. The N-CMK-8 electrode reveals higher reversible capacity, better cycling stability, and rate capability, as compared to the CMK-8 electrode. Coupling the 3D channel network with the functional N-doping increased the reversible capacity to similar to 1000 mAh center dot g(-1) for the N-CMK-8 from similar to 450 mAh center dot g(-1) for the undoped CMK-8 electrode. A full Li-ion cell was built using N-CMK-8 as an anode, commercial LiFePO4, a cathode, and LP30 commercial electrolyte, showing stable performance for 100 cycles. The combination of nitrogen functionalization and ordered porosity is promising for the development of high performing functional anodes.
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| 5. |
- Calcagno, Giulio, 1990, et al.
(författare)
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Fast charging negative electrodes based on anatase titanium dioxide beads for highly stable Li-ion capacitors
- 2020
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Ingår i: Materials Today Energy. - : Elsevier BV. - 2468-6069. ; 16
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Tidskriftsartikel (refereegranskat)abstract
- Hybrid energy storage systems aim to achieve both high power and energy densities by combining supercapacitor-type and battery-type electrodes in tandem. The challenge is to find sustainable materials as fast charging negative electrodes, which are characterized by high capacity retention. In this study, mesoporous anatase beads are synthetized with tailored morphology to exploit fast surface redox reactions. The TiO2-based electrodes are properly paired with a commercial activated carbon cathode to form a Li-ion capacitor. The titania electrode exhibits high capacity and rate performance. The device shows extremely stable performance with an energy density of 27 mWh g-1 at a specific current of 2.5 A g−1 for 10,000 cycles. The remarkable stability is associated with a gradual shift of the potential during cycling as result of the formation of cubic LiTiO2 on the surface of the beads. This phenomenon renews the interest in using TiO2 as negative electrode for Li-ion capacitors.
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| 6. |
- Cavallo, Carmen, 1986, et al.
(författare)
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Effect of the Niobium Doping Concentration on the Charge Storage Mechanism of Mesoporous Anatase Beads as an Anode for High-Rate Li-Ion Batteries
- 2021
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Ingår i: ACS Applied Energy Materials. - : American Chemical Society (ACS). - 2574-0962. ; 4:1, s. 215-225
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Tidskriftsartikel (refereegranskat)abstract
- A promising strategy to improve the rate performance of Li-ion batteries is to enhance and facilitate the insertion of Li ions into nanostructured oxides like TiO2. In this work, we present a systematic study of pentavalent-doped anatase TiO2 materials for third-generation high-rate Li-ion batteries. Mesoporous niobium-doped anatase beads (Nb-doped TiO2) with different Nb5+ doping (n-type) concentrations (0.1, 1.0, and 10% at.) were synthesized via an improved template approach followed by hydrothermal treatment. The formation of intrinsic n-type defects and oxygen vacancies under RT conditions gives rise to a metallic-type conduction due to a shift of the Fermi energy level. The increase in the metallic character, confirmed by electrochemical impedance spectroscopy, enhances the performance of the anatase bead electrodes in terms of rate capability and provides higher capacities both at low and fast charging rates. The experimental data were supported by density functional theory (DFT) calculations showing how a different n-type doping can be correlated to the same electrochemical effect on the final device. The Nb-doped TiO2 electrode materials exhibit an improved cycling stability at all the doping concentrations by overcoming the capacity fade shown in the case of pure TiO2 beads. The 0.1% Nb-doped TiO2-based electrodes exhibit the highest reversible capacities of 180 mAh g-1 at 1C (330 mA g-1) after 500 cycles and 110 mAh g-1 at 10C (3300 mA g-1) after 1000 cycles. Our experimental and computational results highlight the possibility of using n-type doped TiO2 materials as anodes in high-rate Li-ion batteries.
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| 7. |
- Celeste, Arcangelo, et al.
(författare)
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Enhancement of Functional Properties of Liquid Electrolytes for Lithium-Ion Batteries by Addition of Pyrrolidinium-Based Ionic Liquids with Long Alkyl-Chains
- 2020
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Ingår i: Batteries and Supercaps. - : Wiley. - 2566-6223. ; 3:10, s. 1059-1068
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Tidskriftsartikel (refereegranskat)abstract
- Three ionic liquid belonging to the N-alkyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl) imides (Pyr(1),nTFSI with n=4,5,8) have been added as co-solvent to two commonly used electrolytes for Li-ion cells: (a) 1 M lithium hexafluorophosphate (LiPF6) in a mixture of ethylene carbonate (EC) and linear like dimethyl carbonate (DMC) in 1 : 1 v/v and (b) 1 M lithium bis-(trifluoromethanesulfonyl)imide (LiTFSI) in EC : DMC 1 : 1 v/v. These electrolyte formulations (classified as P and T series containing LiPF6 or LiTFSI salts, respectively) have been analyzed by comparing ionic conductivities, transport numbers, viscosities, electrochemical stability as well as vibrational properties. In the case of the Pyr(1,5)TFSI and Pyr(1,8)TFSI blended formulations, this is the first ever reported detailed study of their functional properties in Li-ion cells electrolytes. Overall, P-electrolytes demonstrate enhanced properties compared to the T-ones. Among the various P electrolytes those containing Pyr(1,4)TFSI and Pyr(1,5)TFSI limit the accumulation of irreversible capacity upon cycling with satisfactory performance in lithium cells.
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| 8. |
- Cengiz, Elif Ceylan, 1986, et al.
(författare)
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Review - Reference Electrodes in Li-Ion and Next Generation Batteries: Correct Potential Assessment, Applications and Practices
- 2021
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Ingår i: Journal of the Electrochemical Society. - : The Electrochemical Society. - 1945-7111 .- 0013-4651. ; 168:12
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Forskningsöversikt (refereegranskat)abstract
- This review provides an accessible analysis of the processes on reference electrodes and their applications in Li-ion and next generation batteries research. It covers fundamentals and definitions as well as specific practical applications and is intended to be comprehensible for researchers in the battery field with diverse backgrounds. It covers fundamental concepts, such as two- and three-electrodes configurations, as well as more complex quasi- or pseudo- reference electrodes. The electrode potential and its dependance on the concentration of species and nature of solvents are explained in detail and supported by relevant examples. The solvent, in particular the cation solvation energy, contribution to the electrode potential is important and a largely unknown issue in most the battery research. This effect can be as high as half a volt for the Li/Li+ couple and we provide concrete examples of the battery systems where this effect must be taken into account. With this review, we aim to provide guidelines for the use and assessment of reference electrodes in the Li-ion and next generation batteries research that are comprehensive and accessible to an audience with a diverse scientific background.
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| 9. |
- Eliasen, K. L., et al.
(författare)
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High-frequency dynamics and test of the shoving model for the glass-forming ionic liquid Pyr14-TFSI
- 2021
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Ingår i: Physical Review Materials. - 2475-9953. ; 5:6
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Tidskriftsartikel (refereegranskat)abstract
- In studies of glass-forming liquids, one of the important questions is to understand to which degree chemically different classes of liquids have the same type of dynamics. In this context, room-temperature ionic liquids are interesting because they exhibit both van der Waals and Coulomb interactions. In this work we study the α relaxation and faster relaxation dynamics in the room-temperature ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide (Pyr14-TFSI). The paper presents quasielastic neutron and shear mechanical spectroscopy data measured over seven decades in frequency (10-3-104 Hz). The use of these two methods in combination reveal the α relaxation and four separate, faster modes. Two of these faster modes, based on the partial deuterations, can be assigned to the methyl group and the methyl end of the butyl chain of the cation. The neutron data are also used to determine the mean-square displacement (MSD) on the nanosecond timescale. It is shown that the temperature dependence of the MSD can account for the super-Arrhenius behavior of the α relaxation as predicted by the shoving model [Dyre, Rev. Mod. Phys. 78, 953 (2006)RMPHAT0034-686110.1103/RevModPhys.78.953], similarly to what is seen in simpler glass-forming liquids.
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| 10. |
- Flores, Eibar, 1990, et al.
(författare)
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PRISMA: A Robust and Intuitive Tool for High-Throughput Processing of Chemical Spectra
- 2022
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Ingår i: Chemistry-Methods. - : Wiley. - 2628-9725. ; 2:10
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Tidskriftsartikel (refereegranskat)abstract
- Here we introduce PRISMA, an open-source tool to rapidly analyse large numbers of spectra into meaningful spectroscopic trends. PRISMA follows a human-in-the-loop workflow, where the user interacts with an intuitive graphical user interface to control multiple steps in the spectrum analysis process: trimming, baseline correction, and peak fitting. The tool outputs the results in an easy-to-read csv format within seconds. We describe the functionalities implemented in PRISMA and test its capabilities with three experimental cases relevant to the study of Electrochemical energy storage and conversion devices: a temperature-dependent Raman measurement of phase transitions, a linear Raman mapping of a graphite composite electrode, and an operando X-ray diffraction experiment of lithium nickel oxide composite battery electrode. The case studies demonstrate the robustness of the app and its ability to unearth insightful trends in peak parameters, which are easier to represent, interpret and further analyse with more advanced techniques.
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