Advanced Energy Storage Materials Research Articles

Metal oxide-based nanocomposites as advanced electrode materials for enhancing electrochemical performance of Supercapacitors: A comprehensive review

In recent years, the escalating use of nonrenewable fossil fuels has emerged as a significant threat to global sustainability, prompting the need for renewable, cost-effective, and eco-friendly energy storage solutions. Supercapacitors (SCs) are notable for their high power density (PD), cycle stability, and swift charge/discharge rates, although they fall short in energy density (ED) compared to traditional batteries. The performance of SCs is greatly influenced by the electrode materials used, highlighting the importance of material innovation in tackling the challenges posed by increasing fossil fuel consumption. Transition metal oxides (TMOs), known for their redox activity in energy storage, have been thoroughly investigated for their exceptional specific capacitance, which ranges from 100 to 2000F g−1, surpassing that of electrical double-layer capacitors (EDLCs). TMOs such as ruthenium oxide (RuO2), manganese oxide (MnO2), nickel oxide (NiO), cobalt oxide (Co3O4), tin oxide (SnO2), zinc oxide (ZnO), tungsten oxide (WO3), and vanadium pentoxide (V2O5) are widely researched for their high theoretical capacitance, affordability, and longevity. This review emphasizes the groundbreaking potential of metal oxide nanocomposites (NCs) formed by combining them with graphene, carbon nanotubes (CNTs), and polymers, leading to synergistic enhancements in electrical conductivity, surface area, and charge storage capacity. This thorough review not only presents an in-depth analysis of current research but also sheds light on potential future developments, contributing to the ongoing progress in the field of advanced electrode materials for energy storage.

Passivation and corrosion of Al current collectors in lithium-ion batteries

State-of-the-art lithium-ion batteries inevitably suffer from electrode corrosion over long-term operation, such as corrosion of Al current collectors. However, the understanding of Al corrosion and its impacts on the battery performances have not been evaluated in detail. The passivation, its breakdown, and corrosion of the Al resulted in the deterioration of the solid/solid interface and electrode integrity. Additionally, localized diffusion of F−/Al3+ brought the irreversible current detrimental to the Coulomb efficiency (1.14% loss). Eventually, the behavior led to extensive capacity damage (>20%) to battery performance until lifespan. During the battery cycling, the passivation layer greater than 20 nm was generated near the median voltage. When the charging voltage rose, the passivation layer was squeezed and deformed by the newly generated Al-F-O particles, resulting in stress corrosion cracks. The passivation layer peeled off, and the nano-passivation layer material was re-generated as the voltage continued to rise. The above results were repeated, and the Al matrix was continuously consumed. The passivity breakdown with localized corrosion was derived from ethylene carbonate adsorption, which was highly correlated to the charge voltages, especially at 4.4 V and 4.8 V. The results will serve as a benchmark for electrode corrosion of other advanced energy storage materials, which is crucial for electrode engineering and performance modulation using interfacial design.

Alternative inner filling and outer surface coating of BNNT by Tungsten(VI) oxide for supercapacitor electrode

The motivation behind this research is to address the need for advanced energy storage materials by exploring the selective filling and coating of boron nitride nanotube (BNNT) with tungsten(VI) oxide (WO3) to enhance the pseudocapacitive performance. In this study, we present a novel synthesis method that allows precise control over the extent of filling and coating, aiming to create tailored hybrid structures. Morphological and structural analysis confirm the filling and coating of BNNT by WO3. Inner filling and outer surface coating of BNNT by WO3 significantly impact on the electrochemical properties. The filling of WO3 within the BNNT can enhance the stability of the system, whereas outer surface coating of BNNT by WO3 improves the capacitive performances. The role of BNNT influences both these phenomena by acting as electrolyte transportation channel as well as stabilizing the WO3. In three electrode study, WO3 coated BNNT showed the maximum specific capacitance of 856 F/g at 1 A/g. An asymmetric supercapacitor device using WO3 coated BNNT as positive electrode revealed the maximum specific capacitance of 137 F/g at 2 A/g current density with an improved energy density of 52 W h/kg. The WO3 coated BNNT-based asymmetric supercapacitor device also showed ∼81 % specific capacitance retention after the completion of 10,000 GCD cycles, whereas WO3 filled BNNT-based supercapacitor device demonstrated better stability (∼94 % specific capacitance retention) due to the filling and stabilization of pseudocapacitive WO3 by BNNT.

Production and assessment of UV-cured resin coated stearyl alcohol/expanded graphite as novel shape-stable composite phase change material for thermal energy storage

Expanded graphite-phase change materials (PCM) structures are reinforced to polymers with various methods to fabricate advanced thermal energy storage materials. However, these methods still suffer from processing time and product efficiency challenges. In this study, the UV-curing method was used to produce shape-stable EG-PCM-reinforced resin composites with fast curing and low process temperature of the resin. The composite material, comprising UV-curable resin (30 %), stearyl alcohol (65 %), and Expanded graphite (5 %), was synthesized. This synthesis aimed to address the limitations of traditional PCMs, such as low thermal conductivity and leakage. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were used to characterize the materials' phase change behavior and thermal stability. Scanning electron microscopy (SEM) and Fourier-transform infrared spectroscopy (FTIR) analyses were conducted to elucidate the microstructure and crystallinity of composite materials. The composites, exhibiting near-perfect impermeability with leakage as minimal as 0.89 %, not only enable the attainment of cooler environments by 2–3 °C under hot air conditions but also demonstrate exceptional thermal stability up to 207 °C, as evidenced by TGA results. Additionally, they offer a remarkable melting enthalpy value of 153.1 J/g. These composites, with their shape-retention ability during phase transitions and high thermal energy storage capacity, are a versatile and efficient option for sustainable energy management. This research contributes to the development of innovative materials for renewable energy integration and reducing carbon emissions.

Avocado seed biomass-assisted synthesis of heterostructure bismuth vanadate nanomaterial by combustion method for the application of electrochemical lithium battery storage and supercapacitor

With the global demand for lithium-ion batteries (LIBs), research is focused on developing advanced energy storage materials with high energy and power densities. Hetero-structured nanomaterials have garnered significant interest in energy storage applications based on their unique architecture providing sites for improved electrochemical activity. This work reports a facile single-step combustion synthesis of bismuth vanadate nanoparticles (BVNPs) using avocado seed powder, an economical and eco-friendly fuel source. By optimizing the precursor-to-fuel ratio to 1:1, highly pure phase BVNPs were obtained as characterized via XRD, FT-IR, SEM-EDAX, TEM, UV-DRS, PL, BET, and DLS analyses. When assessed as an electrode material for LIBs, the BVNP1:1 delivered an exceptional initial discharge capacity of 2166 mAhg−1 and a retention of ∼53 mAhg−1 over 90 cycles with 99% Coulombic efficiency. The BVNP1:1 electrode exhibited a maximum specific capacitance of 545.65 mF/cm2 at 2 mA/cm2 current density as a supercapacitor. The combination of scalable green synthesis, excellent phase purity, and superior electrochemical performance makes these BVNPs a promising and sustainable electrode material for forthcoming energy storage technologies to meet the surging energy needs.

Preparation and Application of Thin‐Sodium Metal

With the development of energy storage technology, the new energy storage materials are more diverse. The sodium metal has the advantages of high energy density, rich resource reserves, and low costs for raw materials, becoming promising advanced energy storage materials for application. However, the low tensile strength of sodium metal makes it difficult to process deformation while its severe viscosity and low melting point affect the subsequent manufactory and application of batteries. These characteristics hinder the processing and preparation of thin‐sodium metal. The designs of composite‐supporting structure, alloying, and the interface strengthening for sodium metal can effectively overcome the difficulties in preparation of the thin sodium. In this review, the design principles of thin sodium in terms of processing and preparation, according to the physical and chemical properties of sodium metal, are discussed. Meanwhile, the key challenges and new development opportunities are addressed for the processing and preparation of the thin‐sodium metal, which is beneficial for deeply understanding the reliable fabrication and realizing the practical application of thin‐sodium metals.

Electrochemical characterization and structural analysis of (In2O3)/(Fe2O3) nanocomposites for high-performance supercapacitors

This study presents a comprehensive investigation of the electrochemical characteristics and structural properties of novel nanocomposites with varying compositions of (In2O3)x/(Fe2O3)1-x, where x ranges from 1 to 0. These nanocomposites were synthesized using a versatile and cost-effective co-precipitation method. The crystallographic structure and morphology of the synthesized samples were thoroughly analyzed using Powder X-ray diffraction (PXRD) and Tunneling Electron Microscopy (TEM). Advanced analytical techniques were employed including Positron Annihilation Lifetime Spectroscopy (PALS) and Coincidence Doppler Broadening Spectroscopy (CDBS) to uncover critical insights into the structural and molecular properties of these nanocomposites. PALS analysis revealed valuable insights into the pore characteristics of the nanocomposites, while CDBS identified crucial molecular interactions within the materials. Electrochemical characterization of the nanocomposites is carried out using cyclic voltammetry (CV), galvanostatic charge/discharge (GCD) and electrochemical-impedance-spectroscopy (EIS) measurements. The (In2O3)0.3/(Fe2O3)0.7 nanocomposite exhibits a remarkable specific capacitance of 945 F g-1 at 1 A g-1 and exceptional rate performance, retaining 93.6% of its specific capacitance at a six-fold higher current density. Moreover, this nanocomposite electrode demonstrates outstanding cyclic stability, maintaining 92.1% of its specific capacitance even after 3000 GCD cycles at 8 A g-1. These findings suggest that the novel composition and integrated electrochemical properties of the (In2O3)0.3/(Fe2O3)0.7 nanocomposite hold great promise for enhancing the performance of next-generation electrochemical capacitors. This research contributes valuable insights into the design and development of advanced energy storage materials with applications in various high-performance energy storage devices.

Molecular structure regulation of FCCs enabling N/S co-doped hollow amorphous carbon with enlarged interlayer spacing and rich defects for superior potassium storage

Constructing high-performance and low-cost carbon anodes for potassium-ion batteries (PIBs) is highly desirable but faces great challenges. In this study, we present a novel approach to fabricating N/S co-doped hollow amorphous carbon (LNSHAC) for superior potassium storage through a template-assisted molecular structure regulation strategy. By tailoring a 3D crosslinked aromatics precursor from fluid catalytic cracking slurry (FCCs), the LNSHAC features a N/S co-doped hollow structure with enlarged interlayer spacing of up to 0.405 nm and rich defects. Such unique microstructure offers fast transport channels for K-ion intercalation/deintercalation and provides more active sites, leading to boosted reaction kinetics and potassium storage capacity. Consequently, the LNSHAC electrode delivers an impressive reversible capacity (466.2 mAh g−1 at 0.1 A/g), excellent rate capability (336.3 mAh g−1 at 2 A/g), and superior cyclic performance (256.9 mAh g−1 after 5000 cycles at 5 A/g with admirable retention of 76.9 %), standing out among the reported carbon-based anodes. When KFeHCF is employed as the cathode, the LNSHAC-based K-ion full cell exhibits a high reversible capacity of 176.6 mAh g−1 at 0.1 A/g and excellent cyclic stability over 200 cycles. This work will inspire the development and application of advanced carbon-based materials for potassium electrochemical energy storage.

Ultrafast charge‐discharge and enhanced energy storage properties of lead‐free K0.5Na0.5NbO3‐based ceramics

AbstractFor dielectric capacitors in pulsed power systems, ultrafast charge‐discharge rates and good energy storage performances are essential. The relatively low efficiency η and the low energy density of potassium sodium niobate ceramics will restrict their applications. In this work, a local distortion of the crystal structure of ceramics is made by introducing the Bi and Ce ions, promoting the growth of polar nano‐regions, resulting in more obvious relaxation behavior and lower remnant polarization Pr. The average grain size is reduced, further increasing of breakdown strength. Eventually, fine comprehensive energy storage performances and good mechanical properties are simultaneously obtained. Enhanced recoverable energy storage density Wrec (∼5.30 J/cm3) and a high energy storage efficiency η (∼76.81%) are achieved in 0.970(K0.5Na0.5)NbO3‐0.030CeBiO3 (KNN‐0.030CB) ceramics with an ultrafast discharge rate t0.9 (31 ns) and a high current density (1008.5 A/cm2). All of these results indicate that this work provides a resultful way to design excellent comprehensive properties for advanced energy storage materials.

Trifunctional L-Cysteine Assisted Construction of MoO2 /MoS2 /C Nanoarchitecture Toward High-Rate Sodium Storage.

The volume collapse and slow kinetics reaction of anode materials are two key issues for sodium ion batteries (SIBs). Herein, an "embryo" strategy is proposed for synthesis of nanorod-embedded MoO2 /MoS2 /C network nanoarchitecture as anode for SIBs with high-rate performance. Interestingly, L-cysteine which plays triple roles including sulfur source, reductant, and carbon source can be utilized to produce the sulfur vacancy-enriched heterostructure. Specifically, L-cysteine can combine with metastable monoclinic MoO3 nanorods at room temperature to encapsulate the "nutrient" of MoOx analogues (MoO2.5 (OH)0.5 and MoO3 ·0.5H2 O) and hydrogen-deficient L-cysteine in the "embryo" precursor affording for subsequent in situ multistep heating treatment. The resultant MoO2 /MoS2 /C presents a high-rate capability of 875 and 420mAhg-1 at 0.5 and 10Ag-1 , respectively, which are much better than the MoS2 -based anode materials reported by far. Finite element simulation and analysis results verify that the volume expansion can be reduced to 42.8% from 88.8% when building nanorod-embedded porous network structure. Theoretical calculations reveal that the sulfur vacancies and heterointerface engineering can promote the adsorption and migration of Na+ leading to highly enhanced thermodynamic and kinetic reaction. The work provides an efficient approach to develop advanced electrode materials for energy storage.

P-n heterogeneous Sb2S3/SnO2 quantum dot anchored reduced graphene oxide nanosheets for high-performance lithium-ion batteries.

Antimony sulfide (Sb2S3) has a high theoretical specific capacity due to its two reaction mechanisms of conversion and alloying during the Li+-(de)intercalation process, thus becoming a promising lithium-ion battery (LIB) anode material. However, its poor inherent conductivity and large volume expansion during repeated Li+-(de)intercalation processes greatly hinder the in-depth development of Sb2S3 based LIB anode materials. Herein, an Sb2S3/SnO2@rGO composite was prepared by using an interface engineering technique involving metal-containing ionic liquid precursors, in which Sb2S3/SnO2 quantum dots (QDs) as p-n heterojunctions are uniformly anchored on the surface of reduced graphene oxide (rGO). The p-n heterogeneous interface between Sb2S3 and SnO2 QDs induces an internal electric field, promoting the electronic/ion transport during electrochemical reactions, and the QD-sized Sb2S3/SnO2 heterostructure with a larger surface area provides more active sites for Li+-(de)intercalation reactions. In addition, the rGO matrix acts as a buffer to prevent the aggregation of active Sb2S3 and SnO2 QDs, alleviate the volume expansion, and enhance the conductivity of the composite during repeated cycles. These advantages endow the designed Sb2S3/SnO2@rGO electrode with excellent reaction kinetics and good long cycling stability. As an anode material of LIBs, it can still provide a reversible specific capacity of 474 mA h g-1 after 2000 cycles at a high current density of 3.0 A g-1, which is superior to those of most of the previously reported Sb2S3-based carbon materials. The p-n heterostructure construction strategy of nano-metal sulfide/metal oxides in this work can provide inspiration for the design and synthesis of other advanced energy storage materials.

Diffusion controlled electrochemical analysis of MoS2 and MOF derived metal oxide–carbon hybrids for high performance supercapacitors

In the context of emerging electric devices, the demand for advanced energy storage materials has intensified. These materials must encompass both surface and diffusion-driven charge storage mechanisms. While diffusion-driven reactions offer high capacitance by utilizing the bulk of the material, their effectiveness diminishes at higher discharge rates. Conversely, surface-controlled reactions provide rapid charge/discharge rates and high power density. To strike a balance between these attributes, we devised a tri-composite material, TiO2/Carbon/MoS2 (T10/MoS2). This innovative design features a highly porous carbon core for efficient diffusion and redox-active MoS2 nanosheets on the surface. Leveraging these characteristics, the T10/MoS2 composite exhibited impressive specific capacitance (436 F/g at 5 mV/s), with a significant contribution from the diffusion-controlled process (82%). Furthermore, our symmetrical device achieved a notable energy density of ~ 50 Wh/kg at a power density of 1.3 kW/kg. This concept holds promise for extending the approach to other Metal–Organic Framework (MOF) structures, enabling enhanced diffusion-controlled processes in energy storage applications.

Unveiling the potential of PANI@MnO2@rGO ternary nanocomposite in energy storage and gas sensing

The development of advanced materials for energy storage and gas sensing applications has gained significant attention in recent years. In this study, we synthesized and characterized PANI@MnO2@rGO ternary nanocomposites (NCs) to explore their potential in supercapacitors and gas sensing devices. The ternary NCs were synthesized through a multi-step process involving the hydrothermal synthesis of MnO2 nanoparticles, preparation of PANI@rGO composites and the assembly to the ternary PANI@MnO2@rGO ternary NCs. The structural, morphological, and compositional characteristics of the materials were thoroughly analyzed using techniques such as XRD, FESEM, TEM, FTIR, and Raman spectroscopy. In the realm of gas sensing, the ternary NCs exhibited excellent performance as NH3 gas sensors. The optimized operating temperature of 100 °C yielded a peak response of 15.56 towards 50 ppm NH3. The nanocomposites demonstrated fast response and recovery times of 6 s and 10 s, respectively, and displayed remarkable selectivity for NH3 gas over other tested gases. For supercapacitor applications, the electrochemical performance of the ternary NCs was evaluated using cyclic voltammetry and galvanostatic charge-discharge techniques. The composites exhibited pseudocapacitive behavior, with the capacitance reaching up to 185 F/g at 1 A/g and excellent capacitance retention of approximately 88.54% over 4000 charge-discharge cycles. The unique combination of rGO, PANI, and MnO2 nanoparticles in these ternary NCs offer synergistic advantages, showcasing their potential to address challenges in energy storage and gas sensing technologies.

Assembling all-wood-derived carbon/carbon dots-assisted phase change materials for high-efficiency thermal-energy harvesters

The collection and storage of renewable, sustainable and clean energy including wind, solar, and tidal energy has attracted considerable attention because of its promising potential to replace fossil energy sources. Advanced energy-storage materials are the core component for energy harvesters, affording the high-efficiency conversion of these new-style energy sources. Herein, originated from nature, a series of all-wood-derived carbon-assisted phase change materials (PCMs) were purposed by incorporating carbon dots-modified polyethylene glycol matrix into carbon skeletons via a vacuum-impregnation strategy. The resultant PCMs possessed desired anti-leakage capability and superior thermophysical behaviors. In particular, the optimum sample posed high latent heat (131.5 J/g) and well thermal stability, where the corresponding enthalpy still reserved 90 % over 100 heating/cooling cycles. More importantly, the as-fabricated thermal-energy harvester presented prominent capability to strorage and release multiple forms of thermal energy, as well as high-efficiency solar-energy utilization, corresponding to a photothermal conversion efficiency of 88 % in simulated sunlight irradiation, far exceeding some reported PCMs. Overall, with the introduction of wood-derived carbon dots and carbon skeletons, the assembled all-wood-derived carbon-assisted PCMs afforded trinity advantages on thermal performance, cycling stability, and energy conversion efficiency, which provide a promising potential for the practical application in thermal-energy harvesters.

Recent Developments in Nanostructured Materials for Supercapacitor Electrodes

This review focuses on nanostructures-based systems and aims to provide a comprehensive overview of recent advancements in energy storage technologies and modified energy storage materials. The transition towards a sustainable and carbon-free energy system hinges on the progress of efficient and safe energy storage technologies. Supercapacitors have garnered significant interest in diverse energy storage applications due to their rapid charge/discharge rates, high power density, and extended cycle life. Nanostructures have conclusively demonstrated their capability to significantly enhance supercapacitor electrodes' performance. MXene, an innovative category of 2D materials, has emerged as a promising candidate for energy storage applications due to its substantial surface area, exceptional electrical conductivity, and versatile characteristics. Supercapacitors, nanostructures, and MXene are the main topics of the research articles and reviews in this special issue, highlighting recent developments in the design, synthesis, and characterization of advanced energy storage materials and devices. Additionally, this study presents an in-depth investigation of various carbon-based nanomaterials, their synthesis techniques, and their performance in supercapacitors. It also emphasizes the potential of recycling waste materials for developing high-performance nanomaterials for energy storage applications. Finally, this review encourages further research and development of advanced energy storage technologies by giving readers a thorough overview of the current state-of-the-art and future directions in this rapidly expanding sector.

Designing physical-chemical confinement synergistic effect of stibnite@silicate-mineral composites towards advanced energy-storage materials

Attracted by the high theoretical capacity, metal-sulfides have been devoted to plenty of attentions. But they still suffer from the complex preparing process and high cost. Natural sulphide ores have been deemed as the promising energy-storage materials with great electrochemical properties and low cost. However, they are limited by serious volume swelling and the shutting of polysulfides. Herein, supported by the vacuum gasification manners, natural stibnite is successfully complexed with series of silicate-minerals. Among them, for the as-fabricated Sb2S3@diatomite(Sb2S3@DT), the increasing contacting area of electrolyte with active materials could be obtained, accompanying with the formation of Sb-O bonds on the surface, resulting in the effective chemical limitation of by-product. Moreover, the natural designing of pores serves as important roles in physical confinement effect. As expect, Sb2S3@DT samples display a capacity of 779.4 mAh g−1 at 0.5 A g−1, which could be remained about 623.6 mAh g−1 even after 500 cycles. Assisted by the detailed kinetic analysis, the improved diffusion rate and surface/near-surface controlling behaviors could be further enhanced. From the results of in-situ EIS, the reversible solid electrolyte interphase could be found. The work is anticipated to shed light on the effective strategies about designing advanced mineral-based anodes.

Coupling ultrafine SiO2 nanoparticles with three-dimensional porous Ti3C2Tx MXene as anode materials for high-performance lithium-ion batteries

Silicon dioxide with high-capacity and abundant resource is regarded as a promising anode material for lithium-ion batteries, but the poor intrinsic electrical conductivity and large volume change during the discharge/charge cycles impede its practical application. Herein, a three-dimensional porous composite of Ti3C2Tx@SiO2 was fabricated with a low-temperature liquid phase method, and the ratio of SiO2 and Ti3C2Tx was regulated. The as-prepared A-MX@SiO2-2 with the optimal composition exhibits the best cycle performance (437.9 mAh g−1 after 1000 cycles at 0.1 A g−1) and rate performance (130.0 mA h g−1 at 2 A g−1), which are much higher than pure SiO2 and MXene. The excellent electrochemical performance can be ascribed to the synergistic effect of ultrafine SiO2 nanoparticles and three-dimensional porous Ti3C2Tx, which can shorten the Li+ transport pathway, accelerate electron transfer, and relieve the stress caused by the volume expansion of SiO2. The composite structure effectively inhibits both the aggregation of SiO2 and restacking of Ti3C2Tx. Furthermore, the in-situ formed SiO2 can firmly anchored on the surface of Ti3C2Tx nanosheet by robust interfacial bonding, which enhances the structural stability and conductivity. This research provides a feasible design strategy for synthesis of Ti3C2Tx@SiO2 composite to be employed as advanced energy storage materials.

Boosted sodium ion storage performance in MnO2: Understanding the bond angle-mediated orbital overlap in MnO6 units for fast charge transfer

Symmetric six oxygen-coordinated Mn structural units (MnO6) in MnO2 with small Mn–O orbital overlap hamper electron transfer rates during energy storage. Herein, we report a novel bond angle modulation strategy to manipulate Mn–O orbital overlap in MnO2 through the construction of Mn vacancies (MnO2-VMn), aiming at expediting electron transfer, and thus enhancing energy storage performance. Both experimental and theoretical results disclose that the amplification of Mn–O–Mn bond angles exclusively augments the Mn (dx2-y2)-O (py) orbital overlap and triggers the electron redistribution in MnO2-VMn, inducing an augmented Mn dx2-y2 electron occupation. This heightened presence of active electrons in the Mn dx2-y2 orbital paves the way for accelerating electron transfer and ion transfer in MnO2-VMn. Notably, MnO2-VMn delivers an improved specific capacitance of 425 F g−1 at 1 A g−1 and a superior rate capacity of 265 F g−1 at 20 A g−1. Furthermore, an asymmetric supercapacitor (MnO2-VMn//AC ASC) was fabricated, exhibiting a high energy density of 64.3 Wh kg−1 at a power density of 1000 W kg−1. Furthermore, theoretical insights uncover the profound implications of metal–oxygen–metal bond angle regulation on interatomic orbital overlap modulation. These revelations illuminate pathways for the design of advanced energy storage materials.

First-Principles Study of La2–xYxTi2O7 Solid Solution Antiferroelectrics for High-Efficiency Energy Storage

As a paradigm of engineering antiferroelectric(AFE)-ferroelectric(FE) transition on rare-Earth/titanium complex oxides by solid solution to develop advanced dielectric energy storage materials with high energy density and efficiency, the La2-xYxTi2O7 solid solution antiferroelectrics are theoretically investigated by first-principles calculations of structural stability, band-structure and dielectric polarization hysteresis and AFE-FE transition energy. Dielectric energy storage performances are evaluated and explained by energy density and efficiency as well as AFE or FE phase stability under the electric fields approaching the uppermost critical value determined by electronic band-gap, which highly hinges on field-applying crystallographic orientation and Y-element content. In merit of its multiferroic properties, La2-xYxTi2O7 crystals are demonstrated to acquire energy storage performances of 35 J·cm−3 energy density and 90% efficiency for the amenable maximum electric field of 4 MV·cm−1. The present study is expected to motivate the prospective experimental studies of these potential AFE materials which have so far been rarely deliberated in energy storage applications.

Issue Information

Energy StorageVolume 5, Issue 2 e363 ISSUE INFORMATIONFree Access Issue Information First published: 10 March 2023 https://doi.org/10.1002/est2.363AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL No abstract is available for this article. Volume5, Issue2Special Issue: Special Issue on “Progress in Advanced Energy Storage Materials”March 2023e363 RelatedInformation