| 1. |
- Bi, Zenghui, et al.
(författare)
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Highly dispersed La−O/N−C sites anchored in hierarchically porous nitrogen-doped carbon as bifunctional catalysts for high-performance rechargeable Zn−air batteries
- 2023
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Ingår i: Energy Storage Materials. - : Elsevier. - 2405-8289 .- 2405-8297. ; 54, s. 313-322
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Tidskriftsartikel (refereegranskat)abstract
- Inexpensive, high-activity bifunctional catalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are imperative for the development of energy storage and conversion systems. A nitrogen-doped carbon material with a micro−meso−macroporous structure doped with La (LaPNC) containing La−O/N−C active sites is prepared using SiO2 particle templating of carbon and a metal node exchange strategy. The coordination environment of La sites stabilized by two oxygen and four nitrogen atoms (LaO2N4), is further verified by X-ray absorption spectroscopy. The ORR half-wave potential reaches 0.852 V, and the OER overpotential reaches 263 mV at 10 mA cm−2. The Zn−air battery, with LaPNC as the air cathode, has a maximum power density of 202 mW cm−2 and achieves stable charge−discharge for at least 100 h without a significant increase or decrease in the charge or discharge voltages, respectively. Density functional theory calculations suggest that LaO2N4 sites exhibit the lowest activation free energy and the most easily desorbed oxygen capacity. This study provides new insights into the design of efficient, durable bifunctional catalysts as alternatives to precious-metal-based catalysts.
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| 2. |
- Carvalho, Rodrigo P., et al.
(författare)
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An evolutionary-driven AI model discovering redox-stable organic electrode materials for alkali-ion batteries
- 2023
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Ingår i: Energy Storage Materials. - : Elsevier. - 2405-8289 .- 2405-8297. ; 61
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Tidskriftsartikel (refereegranskat)abstract
- Data-driven approaches have been revolutionizing materials science and materials discovery in the past years. Especially when coupled with other computational physics methods, they can be applied in complex high-throughput schemes to discover novel materials, e.g. for batteries. In this direction, the present work provides a robust AI-driven framework, to accelerate the discovery of novel organic-based materials for Li-, Na- and K-ion batteries. This platform is able to predict the open-circuit voltage of the respective battery and provide an initial assessment of the materials redox stability. The model was employed to screen 45 million small molecules in the search for novel high-potential cathodes, resulting in a proposed shortlist of 3202, 689 and 702 novel compounds for Li-, Na- and K-ion batteries, respectively, considering only the redox stable candidates.
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| 3. |
- Wang, Huan, et al.
(författare)
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MnO2/Mn2+ chemistry: Charging protocol and electrolyte regulation
- 2023
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Ingår i: Energy Storage Materials. - : Elsevier BV. - 2405-8289 .- 2405-8297. ; 63
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Tidskriftsartikel (refereegranskat)abstract
- Aqueous rechargeable Zn-MnO2 batteries based on the dissolution/deposition mechanism of MnO2/Mn2+are gaining increasing attention due to their high capacity and structural simplicity. One of the major concerns is the Mn2+/Mn3+side reaction, which hampers the coulombic efficiency (CE) due to Mn3+(aq) disproportionation. However, factors affecting Mn3+ formation have not been systematically investigated. In this study, we utilized in situ optical microscopy and Scanning Electron Microscopy (SEM) to evaluate the formation of Mn3+ by observing its disproportionation product: the randomly deposited MnO2. We found that an excessively high charging voltage and a low electrolyte pH (pH<4.2) were shown to adversely accelerate Mn3+ formation. Most reports on the Mn2+/MnO2 cathode indicate a coulombic efficiency of only 80 % on carbon felt (thickness: 2.5 mm) at 2 mAh/cm2 due to the inherently low electrical conductivity of MnO2. Here with the optimized charging protocol and the utilization of the anode-friendly, methanesulfonic acid (MSA)-containing electrolyte, we achieved a CE of nearly 100 % for up to 200 cycles at 2 mAh/cm2. This work gives guidelines on the electrolyte design and charging protocol optimization towards high-performance MnO2/Mn2+cathodes.
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| 4. |
- Xiong, R., et al.
(författare)
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A data-driven method for extracting aging features to accurately predict the battery health
- 2023
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Ingår i: Energy Storage Materials. - : Elsevier B.V.. - 2405-8289 .- 2405-8297. ; 57, s. 460-470
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Tidskriftsartikel (refereegranskat)abstract
- Data-driven methods have been widely used for estimating the state of health (SOH) of lithium-ion batteries (LiBs). The aging process can be characterized by degrading features. To achieve high accuracy, a novel method combining four algorithms, i.e. the correlation coefficient, least absolute shrinkage and selection operator regression, neighborhood component analysis, and ReliefF algorithm, is proposed to select the most important features, which are derived from the measured and calculated parameters. To demonstrate the effectiveness of the proposed method, it is adopted to estimate the SOH of two types of LiBs: i.e. NCA and LFP batteries. Compared to the case using all features, using the selected features can improve the accuracy of SOH estimation by 63.5% and 71.1% for the NCA and LFP batteries, respectively. The method can also enable the use of data obtained in partial voltage ranges, based on which the minimum root mean square errors on SOH estimation are 1.2% and 1.6% for the studied NCA and LFP batteries, respectively. It demonstrates the capability for onboard applications.
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| 5. |
- Zhang, Chengji, et al.
(författare)
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Lithium superoxide-based high rate Li-Air batteries enabled by Di-iridium sulfur bridge active sites
- 2023
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Ingår i: Energy Storage Materials. - 2405-8289 .- 2405-8297. ; 60
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Tidskriftsartikel (refereegranskat)abstract
- Li-oxygen (Li-O2) batteries can potentially provide much higher energy density than Li-ion batteries; however, the practical application of these batteries is hindered due to several drawbacks such as low current rates and high overpotential for the charging process. In this paper, we report a novel Li-Air battery system that operates under high current rates (up to 1mAcm 2) with LiO2 as the primary discharge product instead of the commonly reported Li2O2. This LiO2 based battery at high rates is through a combination of an as-synthesized new onedimensional (1D) transition metal trichalcogenide mid-entropy alloy of SnIrS3.6 as a cathode catalyst and an electrolyte blend with a SnI2 bi-functional additive. It is revealed that SnIrS3.6 has a microporous structure composed of six- and five-coordinated metal atoms, forming octahedral and triangular bipyramids which has not been observed in other layered chalcogeide materials. DFT calculations reveal that the SnIrS3.6 structure can result in LiO2 formation through di-iridium sulfur bridge active sites that results in strong binding of O2 and LiO2 preventing disproportionation to Li2O2 and enabling high rates. This finding will open a new perspective in designing advanced LiO2-based Li-O2 batteries for real practices.
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| 6. |
- Zheng, Wei, et al.
(författare)
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Mass loading and self-discharge challenges for MXene-based aqueous supercapacitors
- 2023
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Ingår i: Energy Storage Materials. - : ELSEVIER. - 2405-8289 .- 2405-8297. ; 63
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Tidskriftsartikel (refereegranskat)abstract
- MXene-based aqueous supercapacitors (SCs) have rapidly developed during the last decade because of their excellent cycling stability, fast charging capabilities, and environmental benignity. However, despite the prac-tical importance of mass loadings (MLs) and self-discharge (SD) rates, these two issues have, for the most part, been neglected by the MXene community. MXene-based devices with MLs > 10 mg cm(-2) are vital for the development of the next generation of SC devices. However, poor electrolyte accessibility to active materials and high electrical resistances at high MLs can reduce the specific capacitances significantly, leading to low energy/ power density devices. Most MXene SC papers do not report the SD, despite its great importance in terms of applications. SCs with high SD rates will have many fewer applications. In this review, we are focusing on the ML and SD challenges in MXene-based aqueous SCs. The strategies for constructing high-performance MXene-based aqueous SCs with high MLs and/or slow SD rates are summarized with key challenges and perspectives outlined. Moreover, this review also attempts to raise awareness in the MXene SC community of the importance of ML and SD for a large host of applications.
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| 7. |
- Jiao, Xingxing, et al.
(författare)
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Insight of electro-chemo-mechanical process inside integrated configuration of composite cathode for solid-state batteries
- 2023
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Ingår i: Energy Storage Materials. - 2405-8297. ; 61
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Tidskriftsartikel (refereegranskat)abstract
- The complicated electro-chemo-mechanical process that occurs inside the composite cathode for solid-state batteries (SSBs), is of first importance to be insighted for the development of SSBs to seek higher energy density. Herein, exampled with layered transition-metal oxide of LiNixCoyMn1-x-yO2 (NCM), an electro-chemo-mechanical model containing electrochemical kinetics, finite-strain constitutive model and cohesive zone model was built to uncover the impact of ionic conductivity and Young's modulus (E) of solid-state electrolyte (SE) on the electro-chemo-mechanical process inside composite cathode and the intergranular failure of single cathode particle. The intergranular failure of NCM particles is powerfully determined by the Young's modulus of SE and the primary particle size, which is postponed by the coarse-primary NCM with soft SE of E=∼2 GPa. Compared with Young's modulus, increasing the ionic conductivity can uniform the distribution of both Li-ion and stress in the whole composite NCM cathode, realizing improved electrochemical performance with larger normalized capacity and lower the interfacial impendence. Hence, high-adequate ionic conductivity of 5 × 10−4 S cm−1 and soft mechanical property of E=∼2 GPa can be proposed as the guideline of SE for great electrochemical performance with prolongated lifespan of composite NCM cathode, paving an avenue to foster the application of SSBs.
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| 8. |
- Jiao, Xingxing, et al.
(författare)
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Morphology evolution of electrodeposited lithium on metal substrates
- 2023
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Ingår i: Energy Storage Materials. - 2405-8297. ; 61
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Tidskriftsartikel (refereegranskat)abstract
- Lithium (Li) metal is deemed to be the high-energy-density anode material for next generation batteries, but its practical application is impeded by the uneven electrodeposition during charge of battery, which leads to the low Coulombic efficiency and potential safety issue. Here, multiscale modeling is fabricated to understand the morphology evolution of Li during electrodeposition process, from the self-diffusion of Li adatoms on electrode surface, to the nucleation process, and to the formation of Li microstructures, revealing the correlation between final morphology and deposition substrates. Energy batteries and self-diffusion of Li adatom on various substrates (lithium, copper, nickel, magnesium, and silver) result in the different nucleation size, which is calculated by kinetic Monte Carlo simulation based on classical nucleation theory. Formation of Li substructures that are grown from Li nuclei, is revealed by phase field modeling coupled with cellular automaton method. Our results show that larger Li nuclei is obtained under faster self-diffusion of Li adatom, leading to the low aspect ratio of Li substructures and the subsequent morphology evolution of electrodeposited Li. Furthermore, the electrodeposition of Li is strongly regulated by the selection of substrates, giving the practical guideline of anode design in rechargeable Li metal batteries. It is worthy to mention that this method to investigate the electro-crystallization process involving nucleation and growth can be transplanted to the other metallic anode, such as sodium, potassium, zinc, magnesium, calcium and the like.
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| 9. |
- Wei, Zhongbao, et al.
(författare)
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Machine learning-based fast charging of lithium-ion battery by perceiving and regulating internal microscopic states
- 2023
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Ingår i: Energy Storage Materials. - : Elsevier BV. - 2405-8297. ; 56, s. 62-75
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Tidskriftsartikel (refereegranskat)abstract
- Fast charging of the lithium-ion battery (LIB) is an enabling technology for the popularity of electric vehicles. However, high-rate charging regardless of the physical limits can induce irreversible degradation or even hazardous safety issues to the LIB system. Motivated by this, this paper proposes a machine learning-based fast charging strategy with multi-physical awareness within a battery-to-cloud framework. In particular, a reduced-order electrochemical-thermal model is built in the cloud to perceive the microscopic states of LIB, leveraging which the soft actor-critic (SAC) deep reinforcement learning (DRL) algorithm is exploited for the first time to train a fast charging strategy. Hardware-in-Loop tests and experiments with practical LIBs are carried out for validation. Results suggest that the battery-to-cloud architecture can mitigate the risk of a heavy computing burden in the real-time controller. The proposed strategy can effectively mitigate the unfavorable over-temperature and lithium deposition, which benefits the safety and longevity during fast charging. Given a similar charging speed, the proposed machine learning approach extends the LIB cycle life by about 75% compared to the commonly-used empirical protocol. Meanwhile, the proposed strategy is proven superior to the state-of-the-art rule-based and the model-based strategies in terms of charging rapidity, charging safety and computational complexity. Moreover, the trained low-complexity strategy is highly adaptive to the ambient temperature and initial charging state, which promises robust performance in practical applications.
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