| 1. |
- Bouchal, Roza, 1990, et al.
(författare)
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Tri-sulfur radical trapping in lithium–sulfur batteries
- 2024
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Ingår i: Journal of Power Sources Advances. - 2666-2485. ; 28
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Tidskriftsartikel (refereegranskat)abstract
- Lithium-sulfur (Li–S) batteries have emerged as a next-generation battery technology owing to their prospects of high capacity and energy density. They, however, suffer from rapid capacity decay due to the shuttling of reaction intermediate species: Li polysulfides (LiPSs). One of the more important and intriguing PSs is the tri-sulfur radical (S3•−), observed mainly in high-donor number (DN) solvent-based electrolytes. Although this radical has been proposed to be crucial to full active material (AM) utilization, there is currently no direct evidence of the impact of S3•− on cycling stability. To gain more insight into the role of the S3•−, we studied the use of radical traps in low and high DN solvent-based electrolytes by operando Raman spectroscopy. The traps were based on nitrone and iminium cation, and S3•− was indeed successfully trapped in ex situ analysis. However, it was the ionic liquid-based trap, specifically pyridinium, that effectively suppressed S3•− during battery operation. Overall, the PS formation was altered in the presence of the traps and we confirmed the impact of S3•− formation on the Li–S battery redox reactions and show how the trapping correlates with Li–S battery performance. Therefore, stabilization of the S3•− might be a path to improved Li–S batteries.
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| 2. |
- Kotronia, Antonia, et al.
(författare)
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Catalytically graphitized freestanding carbon foams for 3D Li-ion microbatteries
- 2020
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Ingår i: Journal of Power Sources Advances. - : Elsevier BV. - 2666-2485. ; 1
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Tidskriftsartikel (refereegranskat)abstract
- A long-range graphitic ordering in carbon anodes is desirable since it facilitates Li+ transport within the structure and minimizes irreversible capacity loss. This is of vital concern in porous carbon electrodes that exhibit high surface areas and porosity, and are used in 3D microbatteries. To date, it remains a challenge to graphitize carbon structures with extensive microporosity, since the two properties are considered to be mutually exclusive. In this article, carbon foams with enhanced graphitic ordering are successfully synthesized, while maintaining their bicontinuous porous microstructures. The carbon foams are synthesized from high internal phase emulsion-templated polymers, carbonized at 1000 °C and subsequently graphitized at 2200 °C. The key to enhancing the graphitization of the bespoke carbon foams is the incorporation of Ca- and Mg-based salts at early stages in the synthesis. The carbon foams graphitized in the presence of these salts exhibit higher gravimetric capacities when cycled at a specific current of 10 mA g−1 (140 mAh g−1) compared to a reference foam (105 mAh g−1), which amounts to 33% increase.
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| 3. |
- Marchiori, Cleber F.N., et al.
(författare)
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Tuning the photocatalytic properties of porphyrins for hydrogen evolution reaction : An in-silico design strategy
- 2022
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Ingår i: Journal of Power Sources Advances. - Amsterdam, Netherlands : Elsevier. - 2666-2485. ; 15
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Tidskriftsartikel (refereegranskat)abstract
- Porphyrins constitute a class of attractive materials for harvesting sunlight and promote chemical reactions following their natural activity for the photosynthetic process in plants. In this work, we employ an in-silico design strategy to propose novel porphyrin-based materials as photocatalysts for hydrogen evolution reaction (HER). More specifically, a set of meso-substituted porphyrins with donor-acceptor architecture are evaluated within the density functional theory (DFT) framework, according to these screening criteria: i) broad absorption spectrum in the ultraviolet–visible (UV–Vis) and near infrared (NIR) range, ii) suitable redox potentials to drive the uphill reaction that lead to molecular hydrogen formation, iii) low exciton binding free energy (Eb), and iv) low hydrogen binding free energy (ΔGH), a quantity that should present low HER overpotentials, ideally ΔGH = 0. The outcomes indicate that the Se-containing compound, where the donor ligands are attached to the porphyrin core by the spacer, outstands as the most promising candidate that is presented in this work. It displays a broad absorption in the visible and NIR regions to up to 1000 nm, suitable catalytic power, low Eb (in special in high dielectric constant environment, such as water) and the lowest ΔGH = +0.082 eV. This is comparable, in absolute values, to the value exhibited by platinum (ΔGH = −0.10 eV), one of the most efficient catalysts for HER.
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| 4. |
- Mathew, Alma, et al.
(författare)
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Investigating oxidative stability of lithium-ion battery electrolytes using synthetic charge-discharge profile voltammetry
- 2021
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Ingår i: Journal of Power Sources Advances. - : Elsevier. - 2666-2485. ; 11
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Tidskriftsartikel (refereegranskat)abstract
- Electrolytes are an integral part of any electrochemical energy storage systems, including batteries. Among the many properties which determine the applicability of a Li-ion battery electrolyte, electrochemical stability - and for high voltage electrodes, in particular anodic stability - is a key parameter to consider. Despite being simple and straightforward to employ, the conventional linear sweep voltammetry (LSV) technique often leads to an over-estimation of the oxidative stability. In this study, an alternative approach termed Synthetic Charge-discharge Profile Voltammetry (SCPV) is explored to investigate the oxidative electrolyte stability. We have found this to be a convenient method of quantifying the anodic stability of the electrolyte in a more practically representative manner, in which passivation kinetics and electrode potential changes at the electrode-electrolyte interface are more appropriately reproduced. The viability of this technique is explored with liquid electrolytes based on ether, carbonate, sulfone and carbonate-sulfone mixtures, all with lithium hexafluorophosphate (LiPF6) salt, tested for a potential profile equivalent to LiNi0.5Mn1.5O4 electrodes. The credibility of this technique is validated by correlations to the coulombic efficiencies of corresponding half-cells.
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| 5. |
- Wikner, Evelina, 1987, et al.
(författare)
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How the utilised SOC window in commercial Li-ion pouch cells influence battery ageing
- 2021
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Ingår i: Journal of Power Sources Advances. - : Elsevier BV. - 2666-2485. ; 8
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Tidskriftsartikel (refereegranskat)abstract
- In many lithium-ion battery (LIB) applications, e.g. hybrid vehicles and load-levelling storage systems, only part of the state-of-charge (SOC) range needs to be utilised. This offers the possibility to use an optimal SOC window to avoid LIB ageing. Here, a large test matrix is designed to study LIB ageing in a commercial 26 Ah pouch cell, in order to map the ageing behaviour at different SOC levels with respect to temperature and current. A quantification of the degradation modes, loss of lithium inventory (LLI), loss of active positive (LAM(PE)) and negative (LAM(NE)) electrode materials is made by analysing the change in the open circuit voltage (OCV). A key result is that lower SOC intervals significantly improved battery ageing. Even during harsh test conditions, such as high Crates and temperatures, the cells deliver more than three times the expected number of full cycle equivalents. High SOC combined with high C-rate increase ageing where the dominating ageing mechanisms are LLI, followed by LAM(PE).
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