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Schematic comparison of theoretical and practical gravimetric energy densities of various rechargeable battery systems. Expected mid-class to small electric car range based on reported Tesla Model S and Audi e-tron performances. 11, 12 Adapted with permission from Ref. 7. Creative Commons Attribution 2.0 International License (http://creativecommons.org/licenses/by/2.0).
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Since the resurgence of interest in lithium–sulfur (Li–S) batteries at the end of the 2000s, research in the field has grown rapidly. Li–S battery technology holds great promises as the upcoming post-lithium-ion battery owing to its notably high theoretical specific energy density of 2600 Wh kg–1, nearly five-fold larger than current lithium-ion ba...
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... complete reaction between sulfur and lithium to form lithium sulfide (Li 2 S)), outperforming by far existing Li-ion batteries as shown in Fig. 1. [4][5][6][7] In addition to its high specific capacity, sulfur as an active cathode material has a low environmental impact and it is daily produced in tons quantities as a by-product of the hydrodesulfurization process in crude-oil refineries, making it abundant and cost-effective 2a). 13 During the initial discharge of the cell, the ...
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... proposed to be the best choice for high performance Li-S batteries. This description is in agreement with the work of Park et al., 254 who proposed a disproportion of long-chain PS to short-chain PS after trapped at edge sites of WS 2 . Both groups experimentally confirmed the high adsorption capability for LiPSs by visualization in a glass vial (Fig. 10c). Li and co-workers prepared hollow carbon spheres filled with sulfur and different compositions of SnS 2 nanoparticles ranging from 5 to 7 nm in size. 249 It was found that SnS 2 nanoparticles enhance the life time of the cell, decrease charge transfer resistance, increase the diffusion of Li + within the Li 2 S composite and anchor ...
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... strong attraction of Ti and S is reduced for O-and F-termination groups as the repulsive force from O and F, which have more electrons around their surfaces, increases. 278 As seen in Fig. 11b, the repulsive forces will be slightly shielded by H atoms, if the surface is functionalized with OH-groups. 278 Though, H atoms can be relatively easily replaced in line with the known behavior of increasing number of O groups und decreasing number of OH groups observed if long-chain LiPS are introduced. While the interaction of LiPS ...
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... seen in Fig. 12, the sulfur atoms of the LiPSs interact with metal ion centers of MOF while terminal Li atoms are localized adjacent to oxygen atoms which are the nearest neighbors of the unsaturated metal sites. As the interactions of LiPSs and the MOF are much stronger than for elemental sulfur and the MOFs, Lewis acid-base interactions are assumed ...
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... to obstructed sulfur infiltering during material processing due to small pore apertures. 313 Thus, the comprehensive understanding of the influence of the size of MOF pore windows remains unclear at this time. Concerning the particle size of MOF host materials, an optimum of 200 nm was found for ZIF-8 balancing capacity and cycling stability (Fig. 13). 320 Opposing size dependencies are observed for these properties, as a high capacity depends on high sulfur utilization during the conversion reactions while high cycle life requires moderate crystal sizes to diminish the significance of leaching of sulfur species at the external crystal surface. Morphological and also structural ...
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... do not adjust margins As seen in Fig. 14, the graphene substrate can change the metal's valence band center by influencing the electron density distribution, thus tuning the metal-S interaction. While significantly affecting a transition metal with localized d states, the effect may be rather insignificant for a main group metal with extended p-states. If defects are present ...
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... of ZIF-67(Co) onto the surface of CoAl layered double hydroxide (LDH) via in situ nucleation and directed epitaxial growth followed by thermolysis and etching of this sacrificial template. The obtained Co-nanoparticle/N-doped carbon composite showed a cellular morphology with a hierarchical micro-mesoporous honeycomb-like architecture (see Fig. 15a) and a specific surface area of 460 m 2 g -1 . For a sulfur loading of 3.6 mg cm . The positive effect of the metallic cobalt components on the performance of Li-S batteries is mainly ascribed to electrocatalytic properties of cobalt and enhanced LiPS adsorption. Most reported materials contain nitrogen as doping heteroatom besides ...
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... on XPS measurements, several groups identified pyridinic, pyrrolic as well as graphitic nitrogen in the carbon matrices and observed furthermore both metallic and divalent cobalt. 342,350,378,383 The thereby indicated interactions of Co-, N-and C-atoms may strengthen the adsorption ability of the composites towards LiPSs and promotes the conversion reaction as shown in Fig 15b. According to DFT calculations, the adsorption energy for LiPSs follows the order C-Co-N > C-Co > C-N > C implying C-Co- N to serve as a conductive Lewis base matrix. ...
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... metal hydroxides with hydrophilic groups and functional polar surface have been recently investigated as promising cathode host materials for Li-S batteries, such as Co(OH) 2 further form a stable and shelly (Li, Ni)-mixed hydroxide protective film onto the S/CB composite (Fig. 16a). The thin- formed film with functional polar/hydrophilic groups offers a good permeability to Li + and at the same time serves as a chemical anchor layer for LiPSs. As a result, an advanced hybrid cathode (sulfur content = 62.4 %; sulfur loading = 1.8- 2.5 mg cm -2 ) with high reversible capacity of ≈ 2 mAh g ...
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... after only 60 cycles, under similar cell conditions (Fig. 16c). The stable cell operation at such high sulfur loading was attributed to the cooperative "sulfiphilic" and "lithiophilic" domains of the Ni,Fe-LDH@NG complex which cooperatively chemisorps LiPS intermediates by either "lithiophilic" (via Li-N bonds) or "sulfiphilic" (via S-Fe bonds) interactions and catalyze efficiently interfacial ...
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... domains of the Ni,Fe-LDH@NG complex which cooperatively chemisorps LiPS intermediates by either "lithiophilic" (via Li-N bonds) or "sulfiphilic" (via S-Fe bonds) interactions and catalyze efficiently interfacial redox reactions, as was suggested by XRD and XPS studies. The cooperative interface of the Ni,Fe- LDH@NG is schematically illustrated in Fig. 16d. As a somewhat exotic system, a MgBO 2 (OH)/CNT composite was used to functionalize a usual Celgard 2400 separator and showed high sulfur retention, rapid redox kinetics and lithium ion transport matched together with an high mechanical stability, especially at elevated temperatures of up 140 ...
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9 CONSPECTUS: To meet the ever-increasing global demand for energy, 10 conversion of solar energy to chemical/thermal energy is very promising. Light-11 mediated catalysis, including photocatalysis (organic transformations, water 12 splitting, CO 2 reduction, etc.) and photothermal catalysis play key roles in solar 13 to chemical/thermal energy con...
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... MoS 2 and WS 2 exhibit weak chemical interactions with Li 2 S and Li 2 S n species, unlike TiS 2 . 41,53 These findings indicate that the outstanding compatibilities of MoS 2 and WS 2 with cathode materials, sulfide SEs, and their redox intermediates suppress interfacial degradation at the SE/cathode interface and the deactivation of sulfur cathodes. The results observed in the differential capacity curves also reveal that the sustained redox activity of Li 2 S−MoS 2 and Li 2 S−WS 2 is supported by the emphasized reduction peaks of the cathode materials. ...
All-solid-state lithium–sulfur batteries (ASLSBs) have been attracting attention as next-generation batteries because of their high theoretical energy density, which exceeds that of traditional lithium–ion batteries. However, the performance of ASLSBs is limited by the sluggish redox reaction kinetics of lithium sulfide (Li2S) and S8 cathodes and the electrochemical degradation of cathode materials and solid electrolytes during cycling. Herein, we report a cathode design consisting of Li2S and transition-metal sulfides. This cathode design enhances the redox reaction kinetics of the cathode and suppresses interfacial degradation between the cathodes and solid electrolytes in the composite cathodes. The interface design uses titanium disulfide, molybdenum sulfide (MoS2), and tungsten sulfide to facilitate redox reaction kinetics, which improves the practical performance of ASLSBs. Among the composite cathodes examined in this work, the Li2S–MoS2 composite cathode exhibited the highest discharge capacity of 661 mA h g–1 (2.09 mA h cm–2) after 100 cycles. Electrochemical impedance analysis demonstrated that transition-metal sulfides, particularly MoS2, suppressed the increase in resistance through cycling of the composite cathodes. This finding suggests that transition-metal sulfides in Li2S composite cathodes multifunction as redox mediators and buffer layers, improving practical battery performance. Therefore, the electrode design offered in this study enhances the electrochemical utilization and long-term stability of ASLSBs.
... 4,5 In particular, metal oxides are usually polar and have desirable chemisorptive properties trapping the mobile polysulfide intermediates, improving cycling stability. 6,7 In addition to nanostructured materials and other types of additives, natural clays have been explored as important a Instituto de Física Enrique Gaviola, IFEG, Consejo Nacional de Investigaciones components in Li-S cells. Examples include Al 2 Si 2 O 5 (OH) 4 -based clays, 8,9 layered vermiculite, 10 lepidolite, 11,12 montmorillonite, 13 and others. ...
Capacity retention is a critical property to enhance in electrochemical storage systems applied to renewable energy. In lithium-sulfur (Li-S) batteries, the capacity fade resulting from the shuttle effect of polysulfides is a major obstacle to their practical application. Sepiolite, an eco-friendly earth-abundant clay with suitable surface chemistry for anchoring and retaining various molecules and structures, was studied as a cathode additive to mitigate the shuttle effect using experimental and theoretical approaches. Electrochemical measurements, spectroscopy, and ab-initio calculations were performed to describe the mechanism and interfaces involved in polysulfide retention using 2 wt% of sepiolite as an additive in Li-S batteries. The results showed that the addition of sepiolite significantly improved the capacity retention during battery cycling. Spectroscopic analysis revealed that the effective sepiolite-polysulfide interface was governed by oxidized sulfur species. Additionally, ab-initio studies showed a highly exothermic adsorption both inside and outside the sepiolite pore. This study demonstrates the potential use of eco-friendly, low-cost, non-toxic, natural, and abundant materials as additives to increase capacity retention.
... Extensive research on nanostructured materials and their characterization have shown their uniqueness and advantages for applications in various fields of science and engineering including chemistry, physics, biology, biotechnology, and medicine. Typical applications are related to electrochemical energy conversion and storage [100,107,108], including lithium-based batteries [109], supercapacitors [99,110], and fuel cells [111]. Energyrelated applications of nanostructured materials cover also electrochromic energy storage systems [112], solar cells, and photovoltaics [113] as well as thermoelectric systems and devices [114]. ...
In the last few decades, the development and use of thin films and nanostructured materials to enhance physical and chemical properties of materials has been common practice in the field of materials science and engineering. The progress which has recently been made in tailoring the unique properties of thin films and nanostructured materials, such as a high surface area to volume ratio, surface charge, structure, anisotropic nature, and tunable functionalities, allow expanding the range of their possible applications from mechanical, structural, and protective coatings to electronics, energy storage systems, sensing, optoelectronics, catalysis, and biomedicine. Recent advances have also focused on the importance of electrochemistry in the fabrication and characterization of functional thin films and nanostructured materials, as well as various systems and devices based on these materials. Both cathodic and anodic processes are being extensively developed in order to elaborate new procedures and possibilities for the synthesis and characterization of thin films and nanostructured materials.
... Using the heat of formation of liquid H 2 O D f H(H 2 O) ¼ À285.82 kJ/mol, we can obtain an accurate energy content of 1 kg of H 2 141.8 MJ/kg that equals to 39.38 kWh/kg. This compares very favorably with the theoretical limit of energy density for Li-ion batteries of 2.6 kWh/kg [2]. Together with the ability to be used in low temperature fuel cells, this makes hydrogen an extremely attractive chemical energy source. ...
... Computational chemistry provides insights into the mechanisms of hydrogen uptake and release from the hydrides [127,127,128]. LiH was suggested as hydrogen storage material with somewhat large H 2 binding energy of about 1.8 eV Mg 2 Ni alloy upon N doping shows decreased hydrogen adsorption energy of about À0.54 eV that improves the H 2 generation capability. Mg(BH 4 ) 2 was found as the most stable hydride with large H 2 binding energy [129]. ...
Hydrogen and electricity are the leading energy sources for most applications in the near future. With the rapid development of computers and computational chemistry methods, the research in hydrogen production, infrastructure materials, storage, and utilization more than ever benefits from close interactions with computational chemistry. The present review aims at presenting the modern state of hydrogen energy chemical research in all processes of hydrogen economy. Directions of further research efforts are given in the context of chemometrics and computational chemistry advancements. Problems of computational chemistry that hinder rapid progress are given and their possible solutions are outlined. It is expected that new artificial neural network (ANN) algorithms will play a decisive role in the creation of dependable computational chemistry methods and their application for hydrogen infrastructure, production, storage, and consumption.
... However, numerous measures such as confining sulfur in host materials to inhibit shuttle effect of LiPSs, modifying of separators, using hybridized interlayers, and utilizing new electrolytes, have been taken into practice to design high performance LiSBs [38]. The shuttle inhibition using porous host materials (porous carbon, organic frameworks, metal oxides/nitri des/sulfides/carbides etc.) is the widely studied and researched practice for increasing the energy density and life cycle of LiSBs [39][40][41][42]. The porous host materials anchor LiPSs within their surface by chemical/physical attractions and inhibit their solubility in the electrolyte [39,41]. ...
... The shuttle inhibition using porous host materials (porous carbon, organic frameworks, metal oxides/nitri des/sulfides/carbides etc.) is the widely studied and researched practice for increasing the energy density and life cycle of LiSBs [39][40][41][42]. The porous host materials anchor LiPSs within their surface by chemical/physical attractions and inhibit their solubility in the electrolyte [39,41]. ...
Recent notable progress in the lithium sulfur batteries (LiSBs) indicates the development of a futuristic mature energy storage system which has the potential of replacing the existing commercial batteries. Backed with the advantages of exceptional theoretical energy density, comparatively lower production cost, cheaper and environmentally benign abundant raw materials, the LiSBs have shown the utmost potential to defeat counterpart battery systems currently in the race of rechargeable energy devices. Despite of displaying extraordinary features, the LiSBs suffers from the non-conductivity of sulfur, shuttle effect caused by dissolution of polysulfides, volumetric changes in sulfur during charging/discharging, and dendrites formation at anode, which altogether causes capacity decay and poor battery lifespans. During the last decade, rigorous and innovative engineering designs in developing sulfur host materials have been considered to effectively overcome the drawbacks with LiSBs and utilize their full potential. This review specifically focuses on the porous carbon-based matrix materials which have been used for hosting sulfur cathodes. A detailed overview of structural merits of host materials and their detailed mechanism of interaction with sulfur along with key strategies of designing high performance cathodes for LiSBs is conferred in detail. Lastly, the major challenges and prospects for developing LiSBs technologies with superior energy density in combination with long cycle life for next generation electric vehicles are presented.
... [1][2][3][4][5] The most widely used commercial batteries -the lithium-ion batteries which using transition metal oxides such as lithium cobalt oxides (LiCoO 2 ), lithium manganate oxides (LiMnO 4 ), lithium nickelate oxides (LiNiO 2 ) as cathode materials and graphite as anode materials has hardly met the demand for portable electronic devices and electric vehicles as it has the theoretical capacity limits after decades of development from 1991. [6][7][8][9][10] Therefore, it is essential to develop a new secondary battery system. ...
Lithium‐sulfur (Li−S) batteries have great potential for the development of next‐generation high‐energy‐density secondary batteries owing to their high theoretical energy density, active material (sulfur) environmental friendliness, and low cost. However, their application is still impeded by the inherent sluggish kinetics and solubility of intermediate products of the sulfur cathode. Interface design is an important direction to address challenges in the development of Li−S batteries. The modification of the separator has been shown to effectively suppress the shuttling effect of physical hindrance or chemical bonding without affecting the utilization of active materials. This review encompasses the application of nanostructured transition metal oxides (TMOs), transition metal sulfides (TMSs), transition metal nitrides (TMNs), transition metal phosphides (TMPs), such as incorporating functional separators beyond the approach for preparing novel cathodes, and discusses their composites in a new multifunctional barrier layer for Li−S batteries. The objective properties of various metal compounds and the effect of the shuttle effect in particular on the electrochemical performance in Li−S batteries are highlighted, and give an outlook on the promising approaches for the construction of reliable Li−S batteries.
... To provide a stable supply that meets the massive energy requirement of modern society, effective energy storage systems (ESSs) should be developed. [1][2][3][4][5][6][7][8][9][10][11][12][13] Energy storage devices broadly consist of electrolytes, active materials, and current collectors. 14,15 In general, energy storage is achieved through the redox reaction between the electrolyte and active materials. ...
Soft-templating methods, which utilize the block copolymers (BCPs)-derived self-assembly with inorganic precursors, have been extensively applied to synthesize a wide range of mesoporous materials. Compared with other synthetic approaches including...
... Among them, research on the modification of the cathode materials of the lithium-sulfur battery has become the primary focus. As a kind of polar materials, the surface of transition metal compounds provides a lot of polar sites for polar polysulfides [22], the catalytic property of transition metal compounds promotes the transformation for polysulfides [23], and some specific transition metal compounds can also relieve the volume expansion of electrochemical process. Basing on the above mentioned, researchers gradually begin to study the transition metal compounds as cathode materials for lithium-sulfur battery. ...
The lithium-sulfur battery has high theoretical specific capacity (1675 mAh g⁻¹) and energy density (2567 Wh kg⁻¹), and is considered to be one of the most promising high-energy–density storage battery systems. However, the polysulfides produced during the charging and discharging process of the lithium-sulfur battery will migrate back and forth between the positive and negative electrodes of the battery causing a “shuttle effect,” which leads to the decline of the battery’s cycle stability and reduction of the utilization rate of active substances. Transition metal compounds are common materials and have always played an active role in the capture and catalysis of polysulfides. This paper reviews the recent progress of research on modifying cathode materials by introducing transition metal compounds into lithium-sulfur battery and discusses the future development.
... The marginal change in FF should be addressed mostly as bulk-induced changes, or losses, rather than conventional parasitic changes (Liu et al., 2019). The marginal increment in the V OC is observed with an increase in absorber thickness because the band offset between CBO/MSs is independent of the thickness of the absorber layer and does not contribute to the increment in the PCE (Balach et al., 2018;Jassim et al., 2013;Vishwakarma, 2015). The solar cells consisting of n-type WS 2 showed maximum efficiency of 22.84 %, followed by ZnS (22.30 %), CdS (21.30 %), and SnS 2 (20.90 %) at the CBO film thickness of 900 nm. ...
Solar cells exhibit high performance using a thin semiconducting film with superior light-harvesting ability. Though a variety of thin-film solar cells have shown promise, the quest to find cheaper and promising alternatives is necessary. Herein, this study provides evidence of the capabilities of cheap and stable copper bismuth oxide or CuBi2O4 (CBO) as an efficient light absorber for thin-film photovoltaics. Solar Cell Capacitance Simulator-1D (SCAPS-1D) software is used to optimize the performance of CBO-based kusachiite solar cells with various n-type metal sulfide (MS) buffer layers (CdS, WS2, SnS2, and ZnS). The variation in the thickness and acceptor and donor doping density of CBO light absorber and MSs buffer layers film had the highest control over power conversion efficiency (PCE) and other solar cell parameters. The effect of the work function of metal back contact and operating temperature on the performance of solar cells is also analyzed to assess the real-time application of the proposed metal sulfide and CBO-based kusachiite solar cells. The solar cell device structure of ITO/WS2/CBO/Au optimized in terms of thickness and doping density has shown a theoretical PCE of 22.84 %.
... Lithium-sulfur (Li-S) batteries with a high energy density (2600 Wh kg −1 ) and high theoretical specific capacity (1675 mAh g −1 ) have been considered the promising energy storage system in practical applications [1,2]. However, the poor electrical conductivity, large volume expansion, and the shuttle mechanism of polysulfides are still important factors to affect the performance of Li-S batteries, such as the fast degradation of specific capacity [2][3][4][5][6][7]. ...
The separators with high absorbability of polysulfides are essential for improving the electrochemical performance of lithium–sulfur (Li–S) batteries. Herein, the aramid fibers coated polyethylene (AF-PE) films are designed by roller coating, the high polarity of AFs can strongly increase the binding force at AF/PE interfaces to guarantee the good stability of the hybrid film. As confirmed by the microscopic analysis, the AF-PE-6 film with the nanoporous structure exhibits the highest air permeability by the optimal coating content of AFs. The high absorbability of polysulfides for AF-PE-6 film can effectively hinder the migration of polysulfides and alleviate the shuttle effect of the Li–S battery. AF-PE-6 cell shows the specific capacity of 661 mAh g−1 at 0.1 C. After 200 charge/discharge cycles, the reversible specific capacity is 542 mAh g−1 with the capacitance retention of 82%, implying the excellent stability of AF-PE-6. The enhanced cell performance is attributed to the porous architecture of the aramid layer for trapping the dissolved sulfur-containing species and facilitating the charge transfer, as confirmed by SEM and EDS after 200 cycles. This work provides a facile way to construct the aramid fiber-coated separator for the inhibition of polysulfides in the Li–S battery.
