The issues of health assessment and lifespan prediction have always been prominent challenges in the large-scale application of lithium-ion batteries (LIBs). This paper reviews the multiscale modeling techniques and their applications in battery health analysis, including atomic scale computational chemistry, particle scale reaction simulations, electrode scale structural models, macroscale electrochemical models, and data-driven models at the system level. Multiscale modeling offers a profound insight into material behavior and the aging process of batteries, thereby providing a valuable reference for both estimation and management strategies of battery state of health. To extend the battery lifespan, the utilization of artificial intelligence for material discovery and manufacturing process optimization, the implementation of end-cloud collaborative battery management systems, and the design of a multiscale simulation integration platform are considered. A management framework aimed at extending battery life is further proposed. This framework offers a promising roadmap for addressing health analysis challenges in LIBs, ultimately leading to more reliable, efficient, and durable solutions for next-generation batteries.
Due to its high energy density and low interface impedance, in situ polymerized gel electrolytes were considered as a promising electrolyte candidate for lithium metal batteries (LMBs). In this work, a new flameretardant gel electrolyte was prepared via in situ ring-opening polymerization of DOL and TEP. The PDOL-TEP electrolyte exhibits excellent room temperature ionic conductivity (0.38 mS cm−1), wide electrochemical window (4.4 V), high Li+ transference number (0.57), and enhanced safety. Thus, the NCM811║Li cells with PDOL-TEP electrolyte exhibit excellent cycle stability (82.7% of capacity retention rate after 300 cycles at 0.5 C) and rate performance (156 and 119 mAh g−1 at 0.5 and 1 C). Furthermore, phosphorus radicals decomposed from TEP can combine with hydrogen radicals to block the combustion reaction. This work provides an effective method for the preparation of solid-state LMBs with high voltage, high energy density, and high safety.
Metal-organic frameworks (MOFs), a special sort of three-dimensional crystalline porous lattices composed of organic multi-site connectors and metal nodes, are characterized by unique porosity and high specific surface area, which have attracted a wide range of interest as electrode materials for the electrochemical energy storage devices in recent years. In this contribution, we outline the current research progress on the construction of pristine MOFs, MOF composites, and MOF derivatives and their applications as electrode materials in supercapacitors (SCs) and lithium-ion batteries (LIBs). Specifically, we discuss the shortcomings of MOFs-based electrode materials for SCs and LIBs. The innovative work on performance improvements by combining MOFs with other conductive materials and derivating MOFs into metal sulfides, metal oxides, metal phosphides, and porous carbon is also presented in detail. Finally, our perspectives on the challenges in the future for a grasp of the potential mechanisms are tentatively provided. This review will inspire more developments and applications of MOFs-based electrode materials for electrochemical energy storage.
Covalent organic frameworks (COFs) have been utilized as the ideal candidates to preciously construct electrocatalysts. However, the highly ordered degree of COFs renders the catalytic centers closely stacked, which limits the utilization efficiency of catalytic sites. Herein, we have first constructed dangling and staggered-stacking aldehyde (-CHO) from [4 + 3] COFs as catalytic centers for 2e− oxygen reduction reaction (ORR). The new catalytic COFs have unreacted dangling -CHO out of the COFs’ planes, which are more easily exposed in electrolytes than the sites in the frameworks. More importantly, these –CHO adopt staggered stacking models, and thus provide larger space for mass transport than those with eclipsed stacking models. In addition, by tuning the triratopic linkers in the COFs, the catalytic properties are well modulated. The optimized COF shows high selectivity and activity for 2e− ORR, with H2O2 selectivity of 91%, and mass activity of 12.2 A g−1, respectively. The theoretical calculation further reveals the higher activity for the pyridine-contained B18C6-PTTA-COF due to the promoted binding ability of the intermediate OOH* at the carbon in dangling –CHO. This work provides us with a new insight into designing electrocatalysts based on COFs.
Electrocatalytic CO2 reduction (CO2RR), an emerging sustainable energy technology to convert atmospheric CO2 into value-added chemicals, has received extensive attention. However, the high thermodynamic stability of CO2 and the competitive hydrogen evolution reaction lead to poor catalytic performances, hardly meeting industrial application demands. Due to abundant reserves and favorable CO selectivity, zinc (Zn)-based catalysts have been considered one of the most prospective catalysts for CO2-to-CO conversion. A series of advanced zinc-based electrocatalysts, including Zn nanosheets, Zn single atoms, defective ZnO, and metallic Zn alloys, have been widely reported for CO2RR. Despite significant progress, a comprehensive and fundamental summary is still lacking. Herein, this review provides a thorough discussion of effective modulation strategies such as morphology design, doping, defect, heterointerface, alloying, facet, and singleatom, emphasizing how these methods can influence the electronic structure and adsorption properties of intermediates, as well as the catalytic activity of Zn-based materials. Moreover, the challenges and opportunities of Zn-based catalysts for CO2RR are also discussed. This review is expected to promote the broader application of efficient Zn-based catalysts in electrocatalytic CO2RR, thus contributing to a future of sustainable energy.
Steel slag is a waste discharged from the iron and steel smelting process, which has the characteristics of large output, high temperature, complex chemical composition and poor stability. The application of steel slag in hydrogen production and CO2 fixation is of great significance for reducing energy consumption, obtaining renewable energy and fixing CO2 in the air. In this paper, the research progress of high-temperature sensible heat of steel slag used for hydrogen production and CO2 fixation at medium and low temperature is introduced, the reaction mechanism of different hydrogen production methods and the treatment path and direction of high-efficiency hydrogen production in the future are deeply analyzed, and the steel slag used for CO2 fixation is discussed and summarized from the theory, effect and treatment mode of CO2 fixation. In the future, the research on the economic benefits of hydrogen production and CO2 fixation from steel slag is a major focus, which can achieve economic benefits while utilizing steel slag resources.
Sodium ion hybrid capacitors (SIHC) are emerging as promising nextgeneration energy storage devices with high energy/power density. Presodiation is an essential part of SIHC production due to the lack of sodium sources in the cathode and anode. However, in the current presodiation methods, electrochemical presodiation by galvanostatic current charging and discharging requires a temporary half-cell or a complex reassembling process, which severely hinders the commercialization of SIHC. Herein, in situ synthesized Na2S infiltrated in activated carbon was used as a sodium salt additive for supplying Na+ in SIHC. Due to a low ratio of Na2S additive attributed to high theoretical specific capacity, the fabricated Na2S/activated carbon composite// HC SIHC can show a higher energy density of 129.71 Wh kg−1 than previously reported SIHC on presodiation of cathode additives. Moreover, the designed SIHC shows an excellent cycling performance of 10,000 cycles, which is attributed to the Na2S additive with the advantages of low decomposition potential and no gas generation. This work provides a novel approach for the fabrication of highly efficient Na2S additive composite cathodes for SIHC.
Metallurgical slag such as solid waste generated in the steel industry carries environmental pollution risks, but it is rich in nutrients required by microalgae. Metallurgical slag used for carbon capture and biomass energy conversion has multiple benefits: (i) reduction and harmless treatment of metallurgical solid waste, (ii) assisting in carbon neutrality by efficient carbon fixation, and (iii) production of biodiesel from CO2. In this study, AOD, BOF, BFS, HVS, and VTS slag were applied to culture Chlorella pyrenoidosa (C. pyrenoidosa) with the regulation of growth, carbon fixation, and lipid synthesis. An excellent fixed amount of CO2 with 94.59 mg is obtained from C. pyrenoidosa biomass at BOF slag added (mass ratio of CO2 captured/ microalgae/slag with 1.99/1.00/10.53) since high Ca/Mg mass ratio of 419 (8.38 mg/L Ca and 0.02 mg/L Mg), no Cr and low concentration of Al (0.04 mg/L) contribute to regulating antioxidant enzyme activity (SOD and POD) to resist ROS and improving PEPC activity to reduce carbon flux toward lipid to promote biomass synthesis. Both metal concentrations from Ca (5.86 mg/L), Mg (0.05 mg/L), Al (0.42 mg/L), and Cr (0.006 mg/L) and suitable pH (10.53) in AOD leaching solution at solid/liquid ratio of 0.5 g/L change carbon flow toward efficient lipid synthesis (47.07 wt%) by continuously providing raw materials and energy by regulating ACC, ME, and PEPC activities. High value-added biodiesel with high concentrations of C16 and C18 methyl esters from lipid of C. pyrenoidosa is achieved, following other ecological and economic benefits including 197 mg CO2 captured and 2198 mg AOD applied with harmless. In this study, C. pyrenoidosa is cultured with elements from metallurgical slag solid waste, which promotes C. pyrenoidosa efficient carbon fixation to assist in carbon neutrality, and provides guidance for CO2 conversion to high-value-added products with low cost.