Specific Capacitance Retention Research Articles

Rational designing of PANI based mixed metal oxide composite for high-performance supercapacitor

The increasing demand for energy requirements forces scientists to explore innovative and environmentally friendly energy storage devices that can meet the necessities of human beings. The properties of polyaniline (PANI) make it a better candidate for various energy-related applications. The in situ chemical oxidative polymerization method is carried out to synthesize PANI/V2O5/MnO2 composite. The characterization and electrochemical studies of PANI/V2O5/MnO2 composite are carried out, and it gives a specific capacity of 1138.1C/g. The lower charge transfer resistance of 0.76 Ω and the good specific capacity retention of the composite suggests its efficacy towards energy storage applications.

Manganese-based MOF interconnected carbon nanotubes as a high-performance cathode for rechargeable aqueous zinc-ion batteries

Aqueous zinc-ion batteries (ZIBs) have attracted extensive attention due to their low cost, environmental friendliness, and high volumetric specific capacity. However, the design of cathode materials with high performance for ZIBs is quite limited. In this paper, a kind of manganese-based metal-organic framework/carbon nanotubes (Mn-MOF/CNT) composite is prepared as the cathode material for ZIBs via a one-pot in situ solvothermal method. Particularly, the assembled Mn-MOF/CNT//Zn battery exhibits high specific capacity (260 mAh g−1 at 50 mA g−1) and excellent capacity retention (approximately 100 %) after 900 cycles at 1000 mA g−1. This significant electrochemical performance is attributed to the high porosity and the high conductivity of Mn-MOF/CNT, as well as the Mn2+ electrolyte additive. This work renders a new sight to design high-performance MOF-based cathode materials for aqueous ZIBs.

Rapid Charge Transfer Enabled by Noncovalent Interaction through Guest Insertion in Supercapacitors based on Covalent Organic Frameworks.

Covalent organic frameworks (COFs) have been proposed for electrochemical energy storage, although the poor conductivity resulted from covalent bonds limits their practical performance. Here, we propose to introduce noncovalent bonds in COFs through a molecular insertion strategy for improving the conductivity of the COFs as supercapacitor. The synthesized COFs (MI-COFs) establish equilibriums between covalent bonds and noncovalent bonds, which construct a continuous charge transfer channel to enhance the conductivity. The rapid charge transfer rate enables the COFs to activate the redox sites, bringing about excellent electrochemical energy storage behavior. The results show that the MI-COFs exhibit much better performance in specific capacitance and capacity retention rate than those of most COFs-based supercapacitors. Moreover, through simply altering inserted guests, the mode and strength of noncovalent bond can be adjusted to obtain different energy storage characteristics. The introduction of noncovalent bonds is an effective and flexible way to enhance and regulate the properties of COFs, providing a valuable direction for the development of novel COFs-based energy storage materials.

Rapid Charge Transfer Enabled by Noncovalent Interaction through Guest Insertion in Supercapacitors based on Covalent Organic Frameworks

AbstractCovalent organic frameworks (COFs) have been proposed for electrochemical energy storage, although the poor conductivity resulted from covalent bonds limits their practical performance. Here, we propose to introduce noncovalent bonds in COFs through a molecular insertion strategy for improving the conductivity of the COFs as supercapacitor. The synthesized COFs (MI−COFs) establish equilibriums between covalent bonds and noncovalent bonds, which construct a continuous charge transfer channel to enhance the conductivity. The rapid charge transfer rate enables the COFs to activate the redox sites, bringing about excellent electrochemical energy storage behavior. The results show that the MI−COFs exhibit much better performance in specific capacitance and capacity retention rate than those of most COFs‐based supercapacitors. Moreover, through simply altering inserted guests, the mode and strength of noncovalent bond can be adjusted to obtain different energy storage characteristics. The introduction of noncovalent bonds is an effective and flexible way to enhance and regulate the properties of COFs, providing a valuable direction for the development of novel COFs‐based energy storage materials.

Sulfur-Assisted Surface Modification of Lithium-Rich Manganese-Based Oxide toward High Anionic Redox Reversibility.

Energy storage via anionic redox provides extra capacity for lithium-rich manganese-based oxide cathodes at high voltage but causes gradual structural collapse and irreversible capacity loss with generation of On - (0 ≤ n < 2) species upon deep oxidation. Herein, the stability and reversibility of anionic redox reactions are enhanced by a simple sulfur-assisted surface modification method, which not only modulates the material's energy band allowing feasible electron release from both bonding and antibonding bands, but also traps the escaping On - via an as-constructed SnS2- x - σ Oy coating layer and return them to the host lattice upon discharge. The regulation of anionic redox inhibits the irreversible structural transformation and parasitic reactions, maintaining the specific capacity retention of as-modified cathode up to 94% after 200 cycles at 100mA g-1 , along with outstanding voltage stability. The reported strategy incorporating energy band modulation and oxygen trapping is promising for the design and advancement of other cathodes storing energy through anion redox.

Silicon-Carbon nanofiber composite film for supercapacitor applications

A free-standing silicon-carbon nanofiber composite film was synthesized, and the film was investigated for supercapacitor applications. High specific capacitance of 206F/g in the three-electrode system and 242F/g in the two-electrode system at the current density of 1 A/g with energy density of 21.6 Wh kg−1 and the corresponding power density of 401 W kg−1 are obtained. Specific capacitance retention of 94.6 % and Coulombic efficiency of 87.8 % are also demonstrated after 5,000 cycles. The combination of carbon nanofiber as a support and silicon as an active material finally provide excellent supercapacitor performance.

Effect of ammonium fluoride concentration on synthesis of Co3O4/CC as cathode material for zinc cobalt battery applications

Aqueous zinc ion batteries (AZIBs) have received great attention due to their simple manufacturing technology, high energy density, intrinsic safety and economic feasibility. Co3O4 is one of the ideal cathode materials for aqueous zinc-ion batteries, but many studies were concentrated on the synthesis, design and doping of cathodes. The effect of process parameters on morphology and performance were rare reported. In this paper, Co3O4/CC cathode material based on carbon cloth was prepared by different reactant concentration. The reactant concentration ratio were 2:1, 4:1, 6:1 and 8:1, respectively. The battery was possessed better performance that was assembled by Co3O4/CC material synthesized reactant concentration of 2:1. Co3O4/CC nanowire was uniform distribution, regular surface and small size on carbon cloth. The Zn-ion battery had excellent rate performance and low reaction resistance. The average discharge specific capacity is 142.6 mAh/g and capacity retention rates of 87.8% after 60 charge discharge cycles. The discharge specific capacity and capacity retention rate are significantly higher than the other three Co3O4/CC materials and the charge transfer resistance of the material is the smallest. The study optimized applicable reactant concentration of fabrication cathode Co3O4 in zinc-ion batteries.

Heterogeneous double-layered hybrid solid electrolyte with a concentration-gradient structure for high-performance all-solid-state lithium batteries

All-solid-state lithium batteries (ASSLBs) with hybrid solid electrolytes (HSEs) fabricated using composite structures consisting of polymers and oxides have received extensive attentions owing to their high energy densities and excellent stabilities. Herein, for the high-performance ASSLBs, we designed a double-layered hybrid solid electrolyte (DLHSE) containing 15 wt% LiTa2PO8 (LTPO) and 10 wt% Li6.28Al0.24La3Zr2O12 (LALZO) heterogeneous active fillers in a poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) matrix (LTPO 15% HSE and LALZO 10% HSE, respectively) via two-step casting method. For application in high-performance ASSLBs, LTPO 15% and LALZO 10% HSEs were contacted with cathode and lithium metal anode, respectively. Additionally, DLHSE demonstrated a high ionic conductivity of 8.7 × 10−4 S cm−1 at 25 °C, electrochemical oxidative stability (∼5.1 V) at 55 °C, and a high critical current density of >1.0 mA cm−2, resulting from its low interfacial resistance and high-density interior structure. ASSLB consisting of LiFePO4 (LFP), DLHSE, and lithium metal anode (LFP/DLHSE/Li) demonstrated an initial specific capacity of ∼151 mAh g−1 at 0.2 C and 25 °C and a specific capacity retention of 91% after 140 cycles of charge/discharge. Moreover, Li2MnO3/DLHSE/Li ASSLB demonstrated relatively stable cycling performance up to ∼4.4 V at 20 mA g−1 and 25 °C for 400 cycles of charge/discharge.

Synergistically enhanced roles based on 1D ceramic nanowire and 3D nanostructured polymer frameworks for composite electrolytes

Combining high ionic conductivity of inorganic solid electrolyte and favourable interface compatibility of polymer solid electrolyte, organic-inorganic composite electrolyte is more suitable for high-performance solid lithium battery. Herein, the polyacrylonitrile/polyvinylidene difluoride (PAN/PVDF) nanofiber membranes are prepared by electrospinning way, which can provide a strong skeleton support to improve the mechanical strength of composite electrolyte. The complexation between lithium ion and nitrile base of PAN can promote the transport of lithium ions and excellent oxidation resistance matching high-voltage cathode electrode. There are enough intermolecular hydrogen bonds between PVDF and PEO, and the presence of f in PVDF can enhance the interfacial interaction between the fiber membrane, polyethylene oxide (PEO) and lithium metal. Therefore, it can improve the conductivity of lithium ions and effectively inhibit the growth of severe lithium dendrites. Finally, the ionic conductivity of the composite electrolyte formed by introducing the Gd-doped SnO2 nanofibers (GDS NFs) into the PAN/PVDF nanofiber membranes and PEO matrix can reach 2.45 × 10−4 S cm−1 at 30 °C. In addition, the thickness of the composite electrolyte is only 65 μm, which can significantly improve the energy density of the battery. The specific capacity of the battery assembled with the electrolyte can still maintain 134.3 mA h g−1 after 300 cycles at 50 °C and 1C, and the specific capacity retention rate is up to 91.2 %. The NMC batteries also has a high reversible capacity even after 300 cycles. In conclusion, the Gd-doped SnO2 nanofibers and PAN/PVDF nanofiber membranes with excellent properties provide a novel idea for lithium metal batteries (LMBs).

Core-Shell Structure Trimetallic Sulfide@N-Doped Carbon Composites as Anodes for Enhanced Lithium-Ion Storage Performance.

The high specific capacity of transition metal sulfides (TMSs) opens up a promising new development direction for lithium-ion batteries with high energy storage. However, the poor conductivity and serious volume expansion during charge and discharge hinder their further development. In this work, trimetallic sulfide Zn-Co-Fe-S@nitrogen-doped carbon (Zn-Co-Fe-S@N-C) polyhedron composite with a core-shell structure is synthesized through a simple self-template method using ZnCoFe-ZIF as precursor, followed by a dopamine surface polymerization process and sulfidation during high-temperature calcination. The obvious space between the internal core and the external shell of the Zn-Co-Fe-S@N-C composites can effectively alleviate the volume expansion and shorten the diffusion path of Li ions during charge and discharge cycles. The nitrogen-doped carbon shell not only significantly improves the electrical conductivity of the material, but also strengthens the structural stability of the material. The synergistic effect between polymetallic sulfides improves the electrochemical reactivity. When used as an anode in lithium-ion batteries (LIBs), the prepared Zn-Co-Fe-S@N-C composite exhibits a high specific capacity retention (966.6 mA h g-1 after 100 cycles at current rate of 100 mA g-1) and good cyclic stability (499.17 mA h g-1 after 120 cycles at current rate of 2000 mA g-1).

Double perovskite material of highly active, monoclinic, ordered Ni2ZnMoO6 for an effective quasi-solid state supercapacitor

In the present study, monoclinic Ni2ZnMoO6 double perovskites (monoclinic NZMO DP) electrodes were synthesized using hydrothermal method for supercapacitors application. The structural, elemental, vibrational, and optical characterization were analyzed using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy-energy Dispersive X-ray analysis (HR-SEM & EDX), Transmission Electron Microscopy (TEM), Brunauer-Emmett-Teller (BET), Fourier Transform Infrared spectroscopy(FTIR) and UV-Visible Diffusion reflectance Spectroscopy (UV-DRS). A monoclinic structure with a space group of P 2/m and lattice parameters of a = 11.4377, b = 9.2961, c = 6.8301, and β = 97.710 was fitted using Rietveld refinement, and the cell volume was 719.6458 Å3. The surface area of monoclinic NZMO DP was found to be 50.45 m2 g−1 with a pore volume of 0.15 cm3 g−1. Electrochemical characterization was done using Cyclic voltammetry (CV), Electrochemical Impedance spectroscopy (EIS), and galvanostatic charge-discharge (GCD) measurements. An equivalent-circuit model R(CR)(CR) is iterated to interpret the EIS responses. The Rct found to be less than 100 ohms in the present study can be attributed to Mott variable range hopping (VRH) conduction. The GCD analysis of ASC monoclinic NZMO DP//AC in 6 M KOH at 0.5 Ag−1 in the potential window of 0–1.6 V yields a maximum specific capacitance of 160.45 Fg−1. Excellent electrochemical stability of the monoclinic NZMO DP was ascertained by the specific capacitance retention of the electrode material at 91.37 % after 6000 cycles. The ASC-NZMO monoclinic DP shows an excellent power density of 646.25 W/kg with an energy density of 20.53 Wh/kg. The excellent power storage efficiency and application possibilities of supercapacitors make them a promising technology in various fields.

Multifunctional 0D@2D (Mox-Mn)Sy-NPs@MXene hybrid electrode with high rate-capability and ultra-long cycling life for Li-ion battery and all Molybdenum-MXene-based 1.9 (V) asymmetric supercapacitor

0D@2D heterostructures constituted by binary transition metal sulfides@transition metal carbides can illustrate the combined advantages of each material with their improved electrochemical performance for energy storage devices. 2D transition metal carbides (MXene ∼ Ti3C2) have presented themselves as the most appropriate candidates for the construction of lower-dimensional 0D ∼ like electroactive nanoparticles (NPs). Due to the high theoretical capacity values and versatile valence states, the molybdenum incorporated mixed metal sulfides ((Mox-Mn)Sy) nanoparticles decorated over 2D Ti3C2 sheets are reported for Li-ion battery and asymmetric supercapacitor. A uniquely designed (Mox-Mn)Sy-NPs@MXene hybrid material displays a high Li-ion storage capacity of up to 698 mA h g−1 at 50 mA g−1, and a commendable areal capacity performance (∼1.27 mA h cm−2 at 2 mA cm−2) for supercapacitor, along with outstanding capacity retention at higher current density and stable cycling performance. Furthermore, a 0D@2D (Mo-Fe7)Sx-NPs@MXene hybrid material is utilized as anode material to construct a coin cell-like (Mox-Mn)Sy-NPs@MXene//(Mo-Fe7)Sx-NPs@MXene asymmetric supercapacitor (ASC) device. A high-voltage (∼1.90 V) ASC device based on unique 0D@2D heterostructures displays an ultra-high energy density of 78.8 W h Kg−1 at a power density of 634.63 W Kg−1 along with maximum specific capacity retention and cycling stability performance. This study emphasizes the importance of 0D@2D based heterostructure materials for the development of efficient energy storage devices.

In situ doping of lithium iron phosphate with excellent water-soluble zinc salt was used to improve its magnification performance

It has always been an important research direction for improving the intrinsic conductivity of Lithium iron phosphate materials. Doping can not only improve the intrinsic conductivity but also induce lattice distortion to increase the diffusion rate of lithium ions to improve the electrochemical performance. Zn-doped LiFe1-xZnxPO4 (x = 0, 0.025, 0.05, 0.075) is prepared from LiOH·H2O, FeSO4·7H2O, H3PO4, ZnSO4·7H2O. The composition, structure, morphology and electrochemical performance of the material are characterized in detail by XRD, SEM, EDS, cyclic voltammetry test, AC impedance test and other methods. The results show that the nano-spherical LiFe0.075Zn0.025PO4 exhibits excellent capacity performance and rate performance without intentionally coating C. The initial discharge specific capacity of the positive electrode material is 153.6 mAh·g−1 at 0.2C. The material also exhibits excellent cycle performance, with a discharge-specific capacity of 148.6mAh g−1 and a capacity retention rate of 96.7% after 100 cycles at a current density of 0.2C. Compared with the undoped samples, the doped ZnSO4 improves the actual capacitance of the samples. The high specific capacity retention rate at large rate charge-discharge indicates that zinc doping improves the structural stability of the samples. The crystal structure is not significantly damaged during the large current charge discharge process, and the magnification performance is improved.

Facile preparation of CoMoO4/NiCo2O4 nano-sphere anode materials and their performance in asymmetric supercapacitors

CoMoO4/NiCo2O4 electrodes with a three-dimensional nano-sphere structure have been successfully prepared by a combination of hydrothermal and calcination methods. The electrode material exhibits a high specific capacitance of 1175 F g−1 at 1 A/g, excellent multiplicative performance (74.2 % capacity at 15 A/g) and good cycling stability (85.9 % specific capacitance retention after 10,000 cycles). The asymmetric supercapacitor was constructed using activated carbon (AC) as the negative electrode, showing excellent energy density (27.7 wh kg−1) and power density (806 W kg−1). It also has an extremely long operating life, maintaining a specific capacitance of 78.3 % after 5000 cycles at current densities up to 6 A/g. The results indicate that the synthesized mixed transition metal oxides CoMoO4/NiCo2O4 are promising as composite electrode materials for high-performance asymmetric supercapacitors.

In-situ thermal reduction synthesis of porous carbon nitride doped gadolinium sulfide nanocomposite: An emerging electrode material for high-performance supercapacitor

The multiple-step synthesis, harmful organic solvents, and hazardous binders are the major obstacles for supercapacitor (SC) designers. A conventional synthesis of nanocomposite is normally involves complex steps and time-consuming. To reduce these multiple steps and process time, we report carbon nitride-doped gadolinium sulfide (CN/Gd2S3) nanocomposite obtained via a one-step in situ thermal reduction method. In our study, we introduce poly(3,4-ethylenedioxythiophenes): polystyrene sulfonate (PEDOT–PSS) to act as a dual role of binder and conducting additive, and we use DI water as the solvent for the SC electrode. Despite the reduced fabrication steps, our electrode exhibits an extraordinary specific capacity valueof 1831 F g−1 at 1 A g−1 in an aqueous 2 M KOH electrolyte, as well as 98.5 % retention after 5000 cycles. Moreover, a solid-state asymmetric SC (ASC) was further made up with activated carbon (AC) as a negative electrode and CN/Gd2S3 as a positive electrode, providing a high energy density of 70.95 W h kg−1 at a specific power density of 250 W kg−1 at 1 A g−1. The remarkable specific capacitance retention of the ASC could maintain 86.8 % after 5000 cycles, indicating the potential application of CN/Gd2S3 electrode material for energy storage devices. This device (CN/Gd2S3//AC) showcased its practical application by powering twenty-six light-emitting diodes (LEDs) (each of 2.7 V) and appeared as an attractive energy storage unit for portable devices.

Electrochemical performance of asymmetric supercapacitors based on NiCo(OH)4/Cu2(OH)3NO3 electrode

Copper salt metal compounds are widely used in the field of supercapacitor electrode material due to their rich ionic groups. In this paper, NiCo(OH)4/Cu2(OH)3NO3 electrode material is prepared by the solvothermal method by doping NiCo-based hydroxide with copper salt metal compounds (Cu2(OH)3NO3). NiCo(OH)4/Cu2(OH)3NO3 electrode material with different morphologies and sizes is prepared by adjusting the concentration of metal salts. When the metal salt concentration is 2 M, the prepared circular sheet NiCo(OH)4/Cu2(OH)3NO3 electrode material with a diameter of 3 μm and a thickness of 150 nm exhibits excellent specific capacitance (1335 C g−1 at 1 A g−1) and capacitance retention (after 5000 cycles, the capacitance retention rate is 71.7 %). Furthermore, the NiCo(OH)4/Cu2(OH)3NO3//AC asymmetric supercapacitor is prepared, which exhibited an energy density is 83.78 Wh kg−1 at a power density of 800 W kg−1. The capacitance retention rate of the asymmetric supercapacitor is 65.2 % (after 5000 cycles at 10 A g−1). We used copper salt metal compounds (Cu2(OH)3NO3) to improve the electrochemical performance of NiCo-based hydroxide electrode material. This idea has certain reference significance for improving the performance of NiCo-based hydroxide electrode material.

Nanoarchitectonics of hierarchical porous carbon based on carbonization of heavy fraction of bio-oil and its supercapacitor performance

As a by-product of biomass pyrolysis process, the heavy fraction in bio-oil is characterized by high carbon content, easy polymerization and carbonization and abundant oxygen-containing functional groups, making it a suitable precursor for the synthesis of porous carbon. In this study, nanoarchitectonics of hierarchical porous carbon were prepared from the heavy fraction in bio-oil produced by pyrolysis of rice husk biomass with calcium citrate (C12H10Ca3O14) as a template agent and potassium oxalate (K2C2O4) as an activator. The roles of templating agents and activators in the carbonization polymerization of heavy oil were discussed by TG, BET, SEM, TEM, FTIR, XRD, Raman, XPS and other characterization analyses. C12H10Ca3O14 could promote the formation of mesopores, while the activation etching effect of K2C2O4 was the main source of micropores. The porous carbon effectively inherited the rich oxygen-containing functional groups in bio-oil and had a nanosheet structure with a specific surface area of 1905.3 m2/g. Supercapacitor performance of porous carbon was analyzed through electrochemical performance tests. The specific capacitance reached 233.4 F/g at 0.5 A/g and remained 205.0 F/g at 10 A/g. The attenuation rate was only 12.2 % when the current density increased by 50 times. After 10,000 cycles, the specific capacitance retention of the sample reached 92.3 %. The energy density reached 7.2 Wh/kg at a power density of 239.3 W/kg.

CuO@NiCo-LDH core-shell structure for flexible fiber-shaped supercapacitor electrode material

Metal fiber electrodes are of great interest for their excellent electrical conductivity and flexibility, however the limited surface area is unfavorable for the electrochemical performance. Herein, CuO nanowires in-situ growth on one dimensional (1D) Cu wire were obtained by wet chemistry and annealing method, and NiCo-LDH nanoplates were further growth on CuO nanowires by hydrothermal method to fabricate CuO@NiCo-LDH. The combination of CuO nanowires and NiCo-LDH nanoplates creates a three-dimensional (3D) core-shell structure, which improves the specific surface area and the electrochemical properties. In addition, there is a synergistic effect between the highly reactive of NiCo-LDH and the well-conducting of CuO/Cu. The composite presents a high specific capacitance of 1220.4 mF cm−2 at 1 mA cm−2. Moreover, the CuO@NiCo-LDH//activated carbon paper (ACP) asymmetric supercapacitor exhibits an excellent energy density of 20.1 μWh cm−2 at the power density of 556.3 μW cm−2, outstanding cycling stability with specific capacitance retention of 87.1 % after 6000 cycles and good bending performance. This paper provides a novel idea for the reasonable construction of electrode material structure.

Preparation of porous carbons from corn straw pyrolysis using double activation method in combination of FeCl3 and their electrochemical performance

In the study, an effective method of preparation was applied for the production of electrode materials from corn straw pyrolysis by employing KOH and KMnO4 as activators in combination with FeCl3 as graphitization catalyst. The results showed that the preparation method facilitated the development of the pore structure and improved the electrochemical performance of the materials. When the mass of corn straw, KOH, KMnO4 and FeCl3 was 5 g: 5 g: 5 g: 5 g and the activation temperature was 750 °C, the prepared K5Mn5Fe5–750 indicated the most excellent electrochemical performance and its pore structure was also the best with the specific surface area (SSA) of 1921 m2g−1. The largest specific capacitance was 305.3 F/g at 0.5 A/g for K5Mn5Fe5–750. It still held a 77 % of the specific capacitance retention, suggesting its good rate capability at 10 A/g. The capacitance retention is also still 88.5 % after 10,000 cycles at 10 A/g. The power density of K5Mn5Fe5–750 was 125.06 W kg−1, the energy density was 5.09 Wh kg−1. The study provides a solution with great promise for the carbon materials (CMs) preparation with good electrochemical performance, which is beneficial to the high-value utilization of the biomass materials for the energy storage.

Anhydride-Based Compound with Tunable Redox Properties as Advanced Organic Cathodes for High-Performance Aqueous Zinc-Ion Batteries.

Organic materials with multiple active sites and flexible structural designs are becoming popular for use in aqueous zinc-ion batteries (AZIBs). However, their applicability is limited due to the low specific capacity and poor cycle stability originating from the introduction of inactive units and high solubility. Herein, three organic molecules with tunable redox properties were synthesized using anhydride (PMDA, 1,2,4,5-benzenetetracarboxylic anhydride-1,2-diaminoanthraquinone, NTCDA, 1,4,5,8-naphthalenetetracarboxylic dianhydride-1,2-diaminoanthraquinone, and PTCDA, 3,4,9,10-perylenetetracarboxylic dianhydride-1,2-diaminoanthraquinone, referred to as PM12, NT12, and PT12) in the solid-phase method. Density functional theory (DFT) simulations and experiments identified that NT12 exhibits superior electrochemical performance compared with PM12 and PT12 because of the low energy gap and large aromatic conjugated structure. They demonstrated specific capacities of 106.7, 192.9, and 124.9 mA h g-1 at 0.05 A g-1, respectively. Especially, NT12 displayed excellent initial specific capacity (85.4 mA h g-1 at 1 A g-1) and remarkable capacity retention (64.1% for 3000 cycles) due to dual active centers (C═N and C═O). The all-NT12 full-cell also had excellent performance (127.1 mA h g-1 under 1 A g-1 and 80.6% over 200 cycles). The organic compounds synthesized in this work have potential applications of AZIBs, highlighting the importance of molecular design to develop the next generation of advanced materials.