Types Of Metal-organic Frameworks Research Articles

VOC s detection using resistive gas nanosensor based on MIL-101(Cr) as a metal organic framework

Metal-organic frameworks (MOFs) with interconnected porosity, unique physical properties and increased surface area have been used widely in various applications including catalysis, filtration, gas separation and sensing. The resistive sensors are more common types of gas sensors which can be applied in different areas that need to have semiconductor sensing materials. Most of the MOFs types are dielectric materials which can be chemically modified to enhance their conductivity. Modified MOFs may be used as electronic components in gas resistive chemical sensors. In the present study, to our best knowledge, for the first time MIL-101(Cr)/CNT nanocomposite was used for detection of VOCs including methanol, ethanol, formaldehyde, isopropanol, acetone, tetrahydrofuran, acetonitrile, dichloromethane and n-hexane at room temperature. Afterward, the nanocomposite was characterized by using X-ray diffraction (XRD) analysis, scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), Energy Dispersive Analysis of X-rays (EDAX) and specific surface area analysis (BET). Also, the sensor performance evaluated by sensitivity, selectivity, response and recovery time, repeatability, limits of detection, and stability studies. The results show good sensing behavior for this proposed new sensor.

Stable effect on MIL-101(Cr) with Cu2+ for the toluene adsorption

Volatile organic compounds (VOCs) cause great harm to the ecological environment and human health. Metal-organic frameworks (MOFs) are one of the high-performance adsorbents for the removal of VOCs. A typical MOFs material MIL-101(Cr) was prepared by hydrothermal synthesis, and the properties of the material were optimized by doping copper ions. All prepared adsorbents were characterized by XRD, FTIR, SEM, TG and N2 adsorption-desorption. The results showed that Cu@MIL-101(Cr) with different Cu2+ doping content was successfully prepared without changing the framework structure of MIL-101(Cr). However, the surface area and pore size of Cu@MIL-101(Cr) were reduced, the crystallinity and thermal stability were influenced by varying degrees. Among the samples, Cu-2@MIL-101(Cr) expressed the best adsorption ability on toluene due to the introduction of unsaturated metal sites by doped copper ions, which could improve the adsorption performance of MIL-101(Cr), and its saturation adsorption capacity could reach 469 ​mg/g. Although Cu2+ doping reduced the specific surface area of the material, the increased active sites could greatly improve the adsorption performance of the material, meanwhile the desorption efficiency of Cu-2@MIL-101(Cr) could also reach 86% after 5 times cycles.

Ion conduction in Na＋ containing ionogels based on the UiO-66 metal organic framework

▪ conducting materials are critical to the development of solid-state sodium batteries which may enable the use of sodium metal anodes. Ionogels are hybrid liquid–solid electrolytes that are made by embedding an ionic liquid into a suitable solid framework. In this study, ionogels based on the UiO-66 type metal organic framework (MOF) porous structure were prepared. Three isostructural MOFs were synthesized and used: (i) the UiO-66 material, (ii) an amine functionalized MOF (UiO-66- ▪ ) and iii) a hydroxyl functionalized MOF (UiO-66- ▪ ). A mixture of sodium bis(fluorosulfonyl)imide (NaFSI) and 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)imide (EMIM-FSI) was embedded in the pores of the MOFs. FTIR and conductivity spectroscopy were used to asses the interaction of the mobile species with the MOF structure as well as ion transport and electric relaxation properties of the materials. We found that the conductivity of the ionogels is strongly influenced by the functionalized linker used. The UiO-66- ▪ -based ionogels present an encouraging conductivity increase trend when sodium ions are present, whereas the UiO-66- ▪ -based ionogels present the highest conductivity in the order of 0.3 mScm−1 at 293 K, albeit this is very likely due to highly mobile protons. While further studies are needed to understand which species are dominating the ion conduction, this investigation offers an insight into the behavior of MOF-based ionogels and may guide further work in the field.

Insights into the heat contributions and mechanism of CO2 adsorption on metal–organic framework MIL-100 (Cr, Fe): Experiments and molecular simulations

Metal–organic frameworks (MOFs) MIL-100 (Cr, Fe) synthesized by the hydrothermal method were subjected to heat treatment under an H2 flow. The MIL-100 (Cr) samples had specific surface areas and pore volumes approximately-two times higher than those of the MIL-100 (Fe) samples. The H2 heat treatment enhanced the crystallinity, especially for MIL-100 (Fe). The resulting adsorbents exhibited a superior CO2 adsorption capacity. Furthermore, the grand canonical Monte Carlo method was used to examine the adsorption mechanism at a molecular level. The heat contribution of each atom type of MOFs was demonstrated. The highest heat was found at low loadings (Henry’s law region) among other regions owing to CO2 adsorption inside the supertetrahedron. The most active atoms were C atoms (CO > CC > CH), followed by the O atom (COunsaturated metal), the unsaturated metal site, the other O atom (COsaturated metal), the saturated metal site, the H atom of the ligands, and the O atom of the metal cluster, respectively. This study can provide insights into the determination of the atomic heat contributions of other adsorbents for a better understanding of material design and the mechanism of adsorption.

MOF-derived nanoporous carbons with diverse tunable nanoarchitectures.

Metal-organic frameworks (MOFs), or porous coordination polymers, are crystalline porous materials formed by coordination bonding between inorganic and organic species on the basis of the self-assembly of the reacting units. The typical characteristics of MOFs, including their large specific surface areas, ultrahigh porosities and excellent thermal and chemical stabilities, as well as their great potential for chemical and structural modifications, make them excellent candidates for versatile applications. Their poor electrical conductivity, however, has meant that they have not been useful for electrochemical applications. Fortuitously, the direct carbonization of MOFs results in a rearrangement of the carbon atoms of the organic units into a network of carbon atoms, which means that the products have useful levels of conductivity. The direct carbonization of zeolitic imidazolate framework (ZIF)-type MOFs, particularly ZIF-8, has successfully widened the scope of possible applications of MOFs to include electrochemical reactions that could be used in, for example, energy storage, energy conversion, electrochemical biosensors and capacitive deionization of saline water. Here, we present the first detailed protocols for synthesizing high-quality ZIF-8 and its modified forms of hollow ZIF-8, core-shell ZIF-8@ZIF-67 and ZIF-8@mesostuctured polydopamine. Typically, ZIF-8 synthesis takes 27 h to complete, and subsequent nanoarchitecturing procedures leading to hollow ZIF-8, ZIF-8@ZIF-67 and ZIF-8@mPDA take 6, 14 and 30 h, respectively. The direct-carbonization procedure takes 12 h. The resulting nanoporous carbons are suitable for electrochemical applications, in particular as materials for supercapacitors.

Loosening metal nodes in metal-organic frameworks to facilitate the regulation of valence

The valence of metal nodes in metal-organic frameworks (MOFs) determines their performance in applications while developing an efficient approach for valence regulation is challenging. Here we present a strategy to make the valence regulation much easier by loosening metal nodes by thermal pretreatment. The typical MOF, HKUST-1, with the tunable valence of Cu nodes, was used as a proof of concept. Thermal pretreatment (producing HK-T) changes the chemical environment and loosens Cu nodes, endowing them with enhanced reducibility. In the subsequent vapor-induced reduction, the yield of Cu+ from Cu2+ conversion in HK-T (producing HK-T-V) reaches 69%, which is higher than that in pristine HKUST-1 (producing HK-V) with a Cu+ yield of 19% as well as the reported yields of target-valence metal nodes in various MOFs (6∼30%). The obtained HK-T-V possessing abundant Cu+ sites can capture 0.809 mmol/g thiophene in adsorptive desulfurization, 2.5 times higher than HK-V and superior to most reported adsorbents.

Uniform In Situ Grown ZIF-L Layer for Suppressing Hydrogen Evolution and Homogenizing Zn Deposition in Aqueous Zn-Ion Batteries.

The hydrogen evolution and dendrite of Zn anode are the major troubles hindering the commercialization of aqueous Zn-ion batteries (AZIBs). ZIF-Ls, a typical metal-organic framework (MOF) with a highly ordered structure and abundant functional groups, seem to be the answer for the above bottlenecks. In this paper, a uniform ZIF-L layer was obtained on the Zn surface (Zn@ZIF-L) via an in situ synthesis method to moderate the solvation structure of solid-liquid interface electrolyte reducing the contact between water and Zn, thereby relieving the hydrogen evolution and corrosion. Furthermore, density functional theory (DFT) analysis reveals the binding energy of H (-4.01 eV) and Zn (-0.82 eV) for ZIF-L is superior to that of pure Zn (H (-1.49 eV) and Zn (-0.68 eV)). Due to the multifunctional ZIF-L layer, the Zn@ZIF-L can regulate Zn deposition to overcome the dendrite for obtaining a long-life Zn anode. Consequently, the modified Zn@ZIF-L anode can cycle for 800 h at 0.25 mA cm-2 for 0.25 mAh cm-2, while the bare Zn anode is only maintained for 422 h. Finally, a designed V2O5 grown on carbon cloth (V2O5@CC) was used as the cathode and coupled with the Zn@ZIF-L anode to assemble the full-cell. The Zn@ZIF-L//V2O5@CC full-cell possesses a capacity retention rate of 84.9% after 250 cycles at 0.5 C, prominently higher than Zn//V2O5@CC (40.7%).

Ultralong mean free path phonons in HKUST-1 and their scattering by water adsorbates

Metal-organic frameworks (MOFs) have shown big potential in energy storage and thermal management, which are closely related to their thermal properties. It has been believed for some time that the vibrational mean free path in MOFs is relatively small and the resulting thermal conductivity has weak size dependence. By studying one of the typical MOFs, i.e., ${\mathrm{Cu}}_{3}{(\mathrm{BTC})}_{2}$ where BTC is benzene-1,3,5-tricarboxylate, also referred to as HKUST-1, we computationally prove that the mean free path of these small wave vectors or equivalently low-frequency vibrations in HKUST-1 can be as large as \ensuremath{\sim}120 nm and the corresponding thermal conductivity is strongly size dependent, which is attributed to its good crystallinity. We further find that these long mean free path phonons are strongly scattered by the adsorbed water molecules and the thermal conductivity is decreased by \ensuremath{\sim}51.3% when the water molecules are adsorbed. Consequently, the thermal conductivity of HKUST-1 with water molecules is weakly size dependent. Two pathways for the thermal energy exchange, e.g., the phonons and the water molecules, exist in HKUST-1 with water molecules. The thermal conductivity of the adsorbed HKUST-1 is found to decrease and then increase with the quantity of the adsorbates owing to the competition between the two thermal pathways. Our study here provides a fundamental understanding on the thermal transport mechanisms in the metal-organic framework with consideration of adsorbates, which offers useful guidance for thermal management design in these thermal-related applications such as adsorption-driven heat pumps.

Nickel 1,3,5-benzene-tricarboxylic acid-metal organic framework polymer composite saturable absorber for femtosecond pulse generation

This work demonstrates the fabrication of a saturable absorber with nickel 1,3,5-benzene-tricarboxylic acid (Ni-H3BTC)-metal organic framework (MOF) to generate soliton pulses in an erbium-doped fiber laser. The saturable absorber was fabricated by spin-coating Ni-H3BTC-MOF/polydimethylsiloxane composite on a tapered fiber as the encapsulation agent for light-matter interactions. The proposed cavity emitted a pulse laser at 1557.72 nm central wavelength with 3-dB bandwidth of 5.90 nm, pulse width of 907 fs, and average output power of 13.02 mW. At maximum pump power of 247.8 mW, the pulse energy was calculated to be 1.3 nJ at 10 MHz repetition rate. These results might assist as a footing to explore different types of available MOFs and their properties for the generation of ultrashort pulses.

Ethylenediamine grafted MIL-101 for iodine vapor capture with high capacity

The application of metal-organic frameworks (MOFs) for iodine adsorption is of current interest. As a typical MOF, MIL-101 exhibits good potential in this area. To improve the iodine capture ability of MIL-101, ethylenediamine (ED)-modified MIL-101-ED (x mmol) (x ​= ​1, 5, 10, and 15, representing different amounts of ED) were used for iodine vapor adsorption. Compared with the original MIL-101, all the MIL-101-ED grafted with ED showed higher adsorption capacities than MIL-101, although some of them were amorphous. MIL-101-ED (5 ​mmol) displays the highest capacity of 4.37 ​g ​g−1, which is also in the top set for MOF absorbents. Due to the stronger interaction between MIL-101-ED (5 ​mmol) and iodine molecules, it is transformed into an amorphous structure after the first cycle, leading to a decrease in adsorption capacity. However, the amorphous material is also porous and can be used for the readsorption of iodine vapor, and the adsorption capacity is still higher than that of MIL-101 after the same cycles. In addition, the adsorption capacity of the amorphous structure can be greatly enhanced via modification with ED again.

Metalloporphyrin Metal-Organic Frameworks: Eminent Synthetic Strategies and Recent Practical Exploitations.

The emergence of metal–organic frameworks (MOFs) in recent years has stimulated the interest of scientists working in this area as one of the most applicable archetypes of three-dimensional structures that can be used as promising materials in several applications including but not limited to (photo-)catalysis, sensing, separation, adsorption, biological and electrochemical efficiencies and so on. Not only do MOFs have their own specific versatile structures, tunable cavities, and remarkably high surface areas, but they also present many alternative procedures to overcome emerging obstacles. Since the discovery of such highly effective materials, they have been employed for multiple uses; additionally, the efforts towards the synthesis of MOFs with specific properties based on planned (template) synthesis have led to the construction of several promising types of MOFs possessing large biological or bioinspired ligands. Specifically, metalloporphyrin-based MOFs have been created where the porphyrin moieties are either incorporated as struts within the framework to form porphyrinic MOFs or encapsulated inside the cavities to construct porphyrin@MOFs which can combine the peerless properties of porphyrins and porous MOFs simultaneously. In this context, the main aim of this review was to highlight their structure, characteristics, and some of their prominent present-day applications.

Metal-Organic Frameworks for Drug Delivery

Nowadays, metal-organic framework (MOF) materials are used in the application of sustained release of drugs. Because of high efficiency, good stability and varied properties, MOFs have shown great potential and a promising future in terms of delivery. In this article, many factors which can have a significant impact on the release during the slow release of a drug were introduced, such as temperature, pH, permeability and toxicity. This article also analyses the performance of different types of MOF in the study of different drugs, including coordination complexes, coordination polymers, and microscale coordination polymers. With an in-depth understanding of the different conditions, the process of designing and producing sophisticated MOF materials can be promised.

Size-controlled engineering of cobalt metal catalysts through a coordination effect for oxygen electrocatalysis

In the preparation process of carbon-based transition metal catalysts, the transition metal atoms usually seriously agglomerate, thus reducing the catalytic activity. To slow down the agglomeration of transition metal atoms during high-temperature treatments, herein, organics with coordination functions are proposed to regulate the typical metal-organic framework compound ZIF-67 with rich Co atoms. Electron microscopy structural characterization proves that ZIF-67 modified by coordinated organic compounds, including ascorbic acid (AA), citric acid (CA) and ethylenediaminetetraacetic acid disodium salt (EA), greatly improves the dispersibility of cobalt in the final product. All the adjusted ZIF-67 can derive cobalt-based bifunctional oxygen catalysts with higher activity. Among them, EA-MOF-Co shows the best ORR performance, with a half-wave potential comparable to commercial Pt/C in alkaline solutions and an obviously reduced oxygen evolution overpotential. This suggests that it is an effective method for use of coordination organics to tether metal ions and prevent their further agglomeration during carbonation.

La-MOF coordination polymer: An effective environmentally friendly pH-sensitive corrosion inhibitive-barrier nanofiller for the epoxy polyamide coating reinforcement

Owing to unique properties such as various structural units and crystals with specific geometric shapes, metal-organic frameworks (MOFs) are introduced as the new generation of anti-corrosion filler in recent days. In this study, for the first time, the anti-corrosion ability of the lanthanum type metal-organic framework (La-MOF) was investigated in the epoxy coating. La-MOF was synthesized via the reaction between lanthanum nitrate and terephthalic acid through a hydrothermal method. The fabricated MOF was characterized by FTIR, XRD, UV–Vis, FE-SEM, TEM, TGA, and BET tests. The corrosion inhibitive function of this nanoparticle was evaluated by the EIS test in the solution (NaCl) phase and coating (epoxy) phase. Potentiodynamic polarization (PDP) analysis has proved the oxygen (O2) reduction (cathodic) and iron dissolution (anodic) reactions control, indicating mixed inhibition impact of La-MOF on the metal corrosion. The barrier properties of the epoxy coating containing 0.5 wt% La-MOF was explored via the EIS technique. The achievements from this method showed around a 26% decline in the unfilled epoxy coating barrier performance. While the La-MOF containing epoxy coating maintained its barrier property even after 12 weeks of immersion in corrosive solutions with impedance value at the low frequency over 1010 Ω.cm2. The adhesion studies have proved that the coating adhesion was improved by 15% after the addition of the La-MOF nanoparticles.

Sintesis Zn-BDC dengan Metode Sonokimia dan Aplikasinya Pada Proses Adsorpsi Ion Logam Pb2+

The heavy metal ion pollution such as lead (Pb2+) in wastewater is an environmental problem that needs to be solved. The adsorption method has been reported to have good potential as an alternative method for reducing heavy metal contents in aquatic environment. The most widely used adsorbent media are porous materials with a large surface area and low density. Metal Organic Frameworks (MOFs) are a type of porous material that is widely applied in various fields, such as fuel purification, solvent recovery, gas storage, and adsorbents. Lead(II) is a heavy metal ion that can pollute the environment and endanger humans. This study aims to synthesize MOFs and apply it to the Pb2+ adsorption process. In this research, MOFs type Zn-BDC or MOF-5 were synthesized by sonochemistry method at 60 ℃ as adsorbent for Pb2+ ion. Characterization of the adsorbent by FTIR showed the presence of functional groups C=O, C-H, and Zn-O which indicated the formation of the MOF-5 compound. The concentrations of Pb2+ ions were analyzed using Atomic Absorption Spectrophotometer (AAS). The experimental results show the optimum conditions for the adsorption process at pH 5 for 60 minutes with adsorption efficiency reaching 93.41%. Testing the adsorption isotherm model showed that the Pb2+ ion adsorption process using Zn-BDC as an adsorbent followed the Langmuir isotherm model with the R2 value of 0.9986.

Parametric Study of Methyl Orange Removal Using Metal–Organic Frameworks Based on Factorial Experimental Design Analysis

Wastewater treatment plants (WWTPs) are one of the most energy-intensive industries. Every stage of wastewater treatment consumes energy, which is the primary contributor to WWTP costs. Adsorbents and process optimization are critical for energy savings. The removal of dyes from industrial wastewater by adsorption using commercially available adsorbents is inefficient. Metal–organic frameworks (MOFs) have outstanding properties that can improve separation performance over current commercial adsorbents, and thus, these materials represent a milestone in improving dye removal in water treatment methods. In this work, three types of metal–organic frameworks (Fe-BTC, Cu-BTC, and ZIF-8) have been investigated as prospective adsorbents for methyl orange removal from water in batch setups. The results showed that at 15 mg/L MO initial concentration and 100 mg dosage, Fe-BTC had the highest removal efficiency of 91%, followed by ZIF-8 (63%), and finally Cu-BTC (35%), which exhibited structural damage due to its instability in water. Fe-BTC maintained consistent adsorption capacity over a wide range of pH values. Furthermore, a 23 full factorial design analysis was implemented to evaluate the conditions for maximum MO-removal efficiency. The main effects, interaction effects, analysis of variance (ANOVA), and the Pareto chart were reported. The statistical analysis demonstrated that the MOF type was the most significant factor, followed by dosage and initial concentration. The analysis indicated that the type of MOF and dosage had a positive effect on the removal efficiency, while the initial concentration had a negative effect. The two-way and three-way interactions were also found to be significant.

Self-Assembled pH-Responsive Metal-Organic Frameworks for Enhancing the Encapsulation and Anti-Oxidation and Melanogenesis Inhibition Activities of Glabridin.

Metal organic frameworks (MOFs) are formed by self-assembly of metal ions and organic ligands. A special type of MOF called ZIF-8, which is formed by self-assembly of zinc ions and 2-methylimidazole, shows excellent stability in aqueous solutions and disintegrates under acidic conditions. These properties make ZIF-8 a suitable carrier material for pH-stimulated drug delivery systems. Glabridin is an isoflavane compound that is widely present in the roots of licorice. Because of its outstanding skin whitening properties, glabridin is widely used as a whitener in the cosmetics industry. In this study, ZIF-8 was employed to encapsulate glabridin. Glabridin-loaded ZIF-8 was successfully prepared with a drug encapsulation efficiency of 98.67%. The prepared sample showed a fusiform or cruciate flower-like structure, and its size was about 3 μm. ZIF-8 enabled pH-controlled release of glabridin. Moreover, ZIF-8 encapsulation significantly enhanced the intracellular anti-oxidant activity and melanogenesis inhibitory activity of glabridin. This study provides a new approach that shows great potential to improve the biological application of glabridin.

Hydrogen storage metal-organic framework classification models based on crystal graph convolutional neural networks

Metal-organic frameworks (MOFs) have been considered as promising physical adsorbents for hydrogen storage due to their high porosity and structural tunability. We selected 7643 real MOFs from the computation-ready MOF 2019 database to screen high-performance materials for hydrogen storage based on the grand canonical Monte Carlo (GCMC) simulations. Based on the obtained data set, we proposed a deep learning classification model powered by the crystal graph convolutional neural networks (CGCNN) for the discovery of the optimal hydrogen storage MOFs. It is demonstrated that our classification model based on CGCNN algorithms exhibits a high prediction accuracy with the area under the ROC-plot curve (AUC) of 0.9208 for hydrogen storage performance of volumetric deliverable capacity (VDC). Compared with the classification models based on other machine learning algorithms such as random forest, our CGCNN model demonstrates the advantages of fast prediction with no feature extraction and little accuracy loss. When the trained CGCNN model was used to predict the classification of the unfamiliar samples (the randomly selected 1000 MOFs from the 137,953 hypothetical MOF database), we also obtain high accuracy with AUC > 0.81, indicating that this model exhibits reliable transferability for other types of MOFs. Meanwhile, we also elucidated the relationship between structure and performance of MOFs for hydrogen storage using the decision tree algorithms and quantitative structure–property analysis. Furthermore, the hydrogen adsorption performance and mechanism of top-performance MOFs were analyzed by adsorption isotherms, radial distribution functions, and mass center density distribution of equilibrium configurations. All those insights from atomic simulations and machine learnings can accelerate the discovery of new nanoporous materials not only for gas adsorption in MOFs but also for gas separation in other types of porous materials.

Thin-film microextraction using the metal-organic framework DUT-52 for determining endocrine disrupting chemicals in cosmetics

Metal-organic frameworks (MOFs)-based mixed-matrix membranes (MMMs) were used in a thin-film microextraction (TFME) method for the determination of six personal care products (PCPs) present in cosmetic samples, using ultra-high performance liquid chromatography coupled to a UV/Vis detector (UHPLC-UV/Vis). The type of MOF used (testing UiO-66, UiO-66-COOH, UiO-67, DUT-52, DUT-67, MOF-801, and MOF-808) in the MMM as well as the amount of MOF loaded (up to 60%, w/w) were optimized carefully to select the most adequate MOF-based MMMs for the analytical application. The type of exposure of the MOF-based MMM to the sample, the agitation mode, and the dimensions of the membranes, were also carefully evaluated. Besides, the main parameters affecting the TFME procedure were optimized by a Doehlert experimental design, dictating the following optimum conditions: the MOF DUT-52 MMMs presenting a 60% (w/w) of MOF loading, with membranes prepared using a 250 µm thickness as gap height (resulting in thicknesses of ∼ 60 µm once all solvents of the membranes are removed) and dimensions of 2 × 2 cm, 90 min of TFME time, a vortex assisted desorption step using 625 µL of acetonitrile (2 × times), and a further preconcentration to 150 µL. The entire method showed adequate analytical performance with limits of detection down to 0.030 ng·mL−1, and intra-day, inter-day, and inter-batch precision values (as RSD), better than 10%, 14%, and 20%, respectively, for a concentration level of 75 ng·mL−1. Three cosmetic samples were analyzed, with proper calibrations in the matrix, thus proving the stability and applicability with these matrices. Besides, a thorough study of the greenness of the method was assessed by application of the different existing metrics.

A low-strain metal organic framework for ultra-stable and long-life sodium-ion batteries

As sodium-ion batteries (SIBs) attract more attention, various host materials allowing Na-ions insertion/extraction are being developed. Among them, Prussian blue analogues (PBAs), as typical metal organic frameworks, are regarded as promising cathodes for SIBs because of their open frame structure and simple synthesis process. However, the presence of [Fe(CN)6] vacancies and crystal water in PBA framework usually induce poor electrochemical performance. Herein, high quality Na-rich monoclinic nickel hexacyanoferrate Na1.95Ni[Fe(CN)6]0.89·2.87H2O with nanocubes morphology (NiHCF–NCs) has been prepared through a simple diethylenetriaminepentaacetic acid disodium (Na2DTPA)-assisted coprecipitation strategy. Benefiting from inhibiting defects and low-strain sodium storage mechanism, as-obtained NiHCF–NCs exhibits superior electrochemical properties in terms of high capacity (81.3 mAh g−1), excellent rate capability (64.5 mAh g−1 at 4000 mA g−1), and outstanding cycle performance (97.1% capacity retention over 2000 cycles). Moreover, full-cell assembled with NiHCF–NCs cathode and NaTi2(PO4)3@C anode presents competitive behaviors of good rate capability and ultra-long cycle lifespan over 5000 cycles, greatly promoting the development of SIBs in practical application.