Weak Bimetal Coupling-Assisted MN4 Catalyst for Enhanced Carbon Dioxide Reduction Reaction.

The design of multimetal catalysts holds immense significance for efficient CO2 capture and its conversion into economically valuable chemicals. Herein, heterobimetallic catalysts (MiMo)L were exploited for the CO2 reduction reactions (CO2RR) using relativistic density functional theory (DFT). The octadentate Pacman-like polypyrrolic ligand (H4L) accommodates two metal ions (Mo, W, Nd, and U) inside (Mi) and outside (Mo) its month, rendering a weak bimetal coupling-assisted MN4 catalytically active site. Adsorption reactions have access to energetically stable coordination modes of -OCO, -OOC, and -(OCO)2, where the donor atom(s) are marked in bold. Among all of the species, (UiMoo)L releases the most energy. Along CO2RR, it favors to produce CO. The high-efficiency CO2 reduction is attributed to the size matching of U with the ligand mouth and the effective manipulation of the electron density of both ligand and bimetals. The mechanism in which heterobimetals synergetically capture and reduce CO2 has been postulated. This establishes a reference in elaborating on the complicated heterogeneous catalysis.

Enrichment and immobilization of heavy metal ions from wastewater by nanocellulose/carbon dots-derived composite.

Heavy metal ions (HMIs) have been widely applied in various industries because of their excellent physicochemical properties. However, their discharging without appropriate treatment brought about serious pollution problems. So it is desirable but challenging to rapidly and completely clean up these toxic pollutants from water, especially utilizing environmentally friendly and naturally rich biomass materials. In this work, we prepared nanocellulose/carbon dots/magnesium hydroxide (CCMg) ternary composite using cotton via a simple hydrothermal method. The removal mechanism towards Cd2+ and Cu2+ was investigated using a combination of experimental techniques and density functional theory calculations. CCMg shows a good ability to remove HMIs. It is realized that the interaction between each component of CCMg and cadmium nitrate is mainly of hydrogen/dative bonds. Cadmium nitrate is preferentially enriched by the Mg(OH)2 moiety, proved by calculated thermodynamics, interfacial interactions and charges. After transformation, the cadmium carbonate precipitate is fixed on the surface by nanocellulose (NC) via chemical coupling; and of interest is that copper ion precipitates in the form of basic sulfate. Due to its high adsorption effect and simple recovery operation, CCMg is having a wide range of application prospects as a water treatment agent.

Tuning the Alkyl Chain of Nitrilotriacetamide for Selectively Extracting Trivalent Am over Eu Ions.

The successful management and safe disposal of high-level nuclear waste necessitate the efficient separation of actinides (An) from lanthanides (Ln), which has emerged as a crucial prerequisite. Mixed donor ligands incorporating both soft and hard donor atoms have garnered interest in the field of An/Ln separation and purification. One such example is nitrilotriacetamide (NTAamide) derivatives, which have demonstrated selectivity in extracting minor actinide Am(III) ions over Eu(III) ions. Nevertheless, the Am/Eu complexation behavior and selectivity remain underexplored. In the work, a comprehensive and systematic investigation has been conducted for [M(RL)(NO3)3] complexes (M = Am and Eu) utilizing relativistic density functional theory. The NTAamide ligand (RL) is substituted with various alkyl groups, namely, methyl, ethyl, propyl, n-butyl, n-pentyl, n-hexyl, n-heptyl, and n-octyl. Thermodynamic calculations show that the alkyl chain length in NTAamide is capable of tuning the separation selectivity of Am and Eu. Moreover, the differences in calculated free energies between Am and Eu complexes are more negative for R = Bu-Oct than Me-Pr. This indicates that elongation of the alkyl chain can increase the efficiency of selective separation of Am(III) from Eu(III). Based on the quantum theory of atoms in molecules and charge decomposition analyses, it has been observed that the strength of Am-RL bonds is higher than that of Eu-RL bonds. This disparity is attributed to a greater degree of covalency in Am-RL bonds and a higher level of charge transfer from ligands to Am within complexes containing these bonds. Energies of occupied orbitals with the central N character are recognized overall lower for [Am(OctL)(NO3)3] than for [Eu(OctL)(NO3)3], indicative of stronger complexation stability of the former. These results offer valuable insights into the separation mechanism of NTAamide ligands, which can help guide the development of more powerful agents for An/Ln separation in future applications.

CO Electroreduction Mechanism on Single-Atom Zn (101) Surfaces: Pathway to C2 Products.

Electrocatalytic reduction of carbon dioxide (CO2RR) employs electricity to store renewable energy in the form of reduction products. The activity and selectivity of the reaction depend on the inherent properties of electrode materials. Single-atom alloys (SAAs) exhibit high atomic utilization efficiency and unique catalytic activity, making them promising alternatives to precious metal catalysts. In this study, density functional theory (DFT) was employed to predict stability and high catalytic activity of Cu/Zn (101) and Pd/Zn (101) catalysts in the electrochemical environment at the single-atom reaction site. The mechanism of C2 products (glyoxal, acetaldehyde, ethylene, and ethane) produced by electrochemical reduction on the surface was elucidated. The C-C coupling process occurs through the CO dimerization mechanism, and the formation of the *CHOCO intermediate proves beneficial, as it inhibits both HER and CO protonation. Furthermore, the synergistic effect between single atoms and Zn results in a distinct adsorption behavior of intermediates compared to traditional metals, giving SAAs unique selectivity towards the C2 mechanism. At lower voltages, the Zn (101) single-atom alloy demonstrates the most advantageous performance in generating ethane on the surface, while acetaldehyde and ethylene exhibit significant certain potential. These findings establish a theoretical foundation for the design of more efficient and selective carbon dioxide catalysts.

The coupling of graphene, graphitic carbon nitride and cellulose to fabricate zinc oxide-based sensors and their enhanced activity towards air pollutant nitrogen dioxide.

It is desirable but challenging to sense toxic nitrogen dioxide (NO2) for it has become one of the most prominent air pollutants. Zinc oxide-based gas sensors are known to detect NO2 gas efficiently, however, the sensing mechanism and involved intermediates structures remain underexplored. In the work, a series of sensitive materials, including zinc oxide (ZnO) and its composites ZnO/X [X = Cel (cellulose), CN (g-C3N4) and Gr (graphene)] have been comprehensively examined by density functional theory. It is found that ZnO favors adsorbing NO2 over ambient O2, and produces nitrate intermediates; and H2O is chemically held by zinc oxide, in line with the non-negligible impact of humidity on the sensitivity. Of the formed composites, ZnO/Gr exhibits the best NO2 gas-sensing performance, which is proved by the calculated thermodynamics and geometrical/electronic structures of reactants, intermediates and products. The interfacial interaction has been elaborated on for composites (ZnO/X) as well as their complexes (ZnO- and ZnO/X-adsorbates). The current study well explains experimental findings and opens up a way to design and unearth novel NO2 sensing materials.

Confinement effect of network-structured carbon dots/cellulose nanofiber/magnesium hydroxide for enhanced heavy metal ions capture and immobilization.

To solve pollution problem of heavy metal ions (HMIs) and recover them for sustainable development, a high-efficient-sewage treatment agent, carbon dots/cellulose nanofiber/Mg(OH)2 (CCMg), has been fabricated via a simple hydrothermal method. A variety of characterizations show that cellulose nanofiber (CNF) formed a layered-net structure. Hexagonal Mg(OH)2 flakes of about 100 nm has been attached on CNF. Carbon dots (CDs) around 10-20 nm in size were produced from CNF and distributed along CNF. The extraordinary structural feature endows CCMg with high removal performance towards HMIs. The up-taken capacities reach 992.8 and 667.3 mg g-1 for Cd2+ and Cu2+, respectively. The composite bears excellent durability in treating wastewater. Notably, the qualification of the drinking water can be satisfied while applying CCMg to handle Cu2+ wastewater. The mechanism of removal process has been proposed. Practically, Cd2+/Cu2+ ions were immobilized by CNF due to the space confinement effect. It achieves the facile separation and recovery of HMIs from the sewage, and more importantly, eliminates the risk of secondary contamination.

Complexation of a Nitrilotriacetate-Derived Triamide Ligand with Trivalent Lanthanides: A Thermodynamic and Crystallographic Study.

Non-heterocyclic N-donor nitrilotriacetate-derived triamide ligands are one of the most promising extractants for the selective extraction separation of trivalent actinides over lanthanides, but the thermodynamics and mechanism of the complexation of this kind of ligand with actinides and lanthanides are still not clear. In this work, the complexation behaviors of N,N,N',N',N″,N″-hexaethylnitrilotriacetamide (NTAamide(Et)) with four representative trivalent lanthanides (La3+, Nd3+, Eu3+, and Lu3+) were systematically investigated by using 1H nuclear magnetic resonance (1H NMR), ultraviolet-visible (UV-vis) and fluorescence spectrophotometry, microcalorimetry, and single-crystal X-ray diffractometry. 1H NMR spectroscopic titration of La3+ and Lu3+ indicates that two species of 1:2 and 1:1 metal-ligand complexes were formed in NO3- and ClO4- media. The stability constants of NTAamide(Et) with Nd3+ and Eu3+ obtained by UV-vis and fluorescence titration show that the complexing strength of NTAamide(Et) with Nd3+ is lower than that with Eu3+ in the same anionic medium, while that of the same lanthanide complex is higher in ClO4- medium than in NO3- medium. Meanwhile, the formation reactions for all metal-ligand complexes are driven by both enthalpy and entropy. The structures of lanthanide complexes in the single ClO4- and NO3- medium and the mixed one were determined to be [LnL2(MeOH)](ClO4)3 (Ln = La, Nd, Eu, and Lu), [LaL2(EtOH)2][La(NO3)6], and [LaL2(NO3)](ClO4)2, separately. The average bond lengths of lanthanide complexes decrease gradually with the decrease in ionic radii of Ln3+, indicating that heavier lanthanides form stronger complexes due to the lanthanide contraction effect, which coincides with the trend of the complexing strength obtained by spectroscopic titration. This work not only reveals the thermodynamics and mechanism of the complexation between NTAamide ligands and lanthanides but also obtains the periodic tendency of complexation between them, which may facilitate the separation of trivalent lanthanides from actinides.

Uranium-Doped Zinc, Copper, and Nickel Oxides for Enhanced Catalytic Conversion of Furfural to Furfuryl Alcohol: A Relativistic DFT Study.

Transition metal oxides (TMOs) and actinide ones (AnOs) have been widely applied in catalytic reactions due to their excellent physicochemical properties. However, the reaction pathway and mechanism, especially involving TM-An heterometallic centers, remain underexplored. In this respect, relativistic density functional theory (DFT) was used to examine uranium-doped zinc, copper, and nickel oxides for their catalytic activity toward the conversion of furfural to furfuryl alcohol. A comparison was made with their undoped TMOs. It was found that the three TMOs were capable of catalyzing the reaction, where the free energies of adsorption, hydrogenation, and desorption fell between -33.93 and 45.00 kJ/mol. The uranium doping extremely strengthened the adsorption of CuO-U and NiO-U toward furfural, making hydrogenation or desorption much harder. Intriguingly, ZnO-U showed the best catalytic performance among all six catalyst candidates, as its three reaction energies were very small (-10.54-8.12 kJ/mol). The reaction process and mechanism were further addressed in terms of the geometrical, bonding, charge, and electronic properties.

Theoretical Investigation of Catalytic Water Splitting by the Arene-Anchored Actinide Complexes.

Actinide complexes, which could enable the electrocatalytic H2O reduction, are not well documented because of the fact that actinide-containing catalysts are precluded by extremely stable actinyl species. Herein, by using relativistic density functional theory calculations, the arene-anchored trivalent actinide complexes (Me,MeArO)3ArAn (marked as [AnL]) with desirable electron transport between metal and ligand arene are investigated for H2 production. The metal center is changed from Ac to Pu. Electron-spin density calculations reveal a two-electron oxidative process (involving high-valent intermediates) for complexes [AnL] (An = P-Pu) along the catalytic pathway. The electrons are provided by both the actinide metal and the arene ring of ligand. This is comparable to the previously reported uranium catalyst (Ad,MeArO)3mesU (Ad = adamantine and mes = mesitylene). From the thermodynamic and kinetic perspectives, [PaL] offers appreciably lower reaction energies for the overall catalytic cycle than other actinide complexes. Thus, the protactinium complex tends to be the most reactive for H2O reduction to produce H2 and has the advantage of its experimental accessibility.

Fabrication of ZnO@Plant Polyphenols/Cellulose as Active Food Packaging and Its Enhanced Antibacterial Activity.

To investigate the efficient use of bioresources and bioproducts, plant polyphenol (PPL) was extracted from larch bark and further applied to prepare ZnO@PPL/Cel with cellulose to examine its potential as an active package material. The structure and morphology were fully characterized by XRD, SEM, FTIR, XPS and Raman spectra. It was found that PPL is able to cover ZnO and form a coating layer. In addition, PPL cross-links with cellulose and makes ZnO distribute evenly on the cellulose fibers. Coating with PPL creates a pinecone-like morphology in ZnO, which is constructed by subunits of 50 nm ZnO slices. The interactions among ZnO, PPL and cellulose have been attributed to hydrogen bonding, which plays an important role in guiding the formation of composites. The antibacterial properties against Gram-negative Escherichia coli (E. coli) and Gram-positive Staphylococcus aureus (S. aureus) were tested by the inhibition zone method. Our composite ZnO@PPL/Cel has superior antibacterial activity compared to ZnO/Cel. The antibacterial mechanism has also been elaborated on. The low cost, simple preparation method and good performance of ZnO@PPL/Cel suggest the potential for it to be applied as active food packaging.

Metal-Free Boron/Phosphorus Co-Doped Nanoporous Carbon for Highly Efficient Benzyl Alcohol Oxidation.

An in-depth understanding of the electronic structures of catalytically active centers and their surrounding vicinity is key to clarifying the structure-activity relationship, and thus enabling the design and development of novel metal-free carbon-based materials with desired catalytic performance. In this study, boron atoms are introduced into phosphorus-doped nanoporous carbon via an efficient strategy, so that the resulting material delivers better catalytic performance. The doped B atoms alter the electronic structures of active sites and cause the adjacent C atoms to act as additional active sites that catalyze the reaction. The B/P co-doped nanoporous carbon shows remarkable catalytic performance for benzyl alcohol oxidation, achieving high yield (over 91% within 2 h) and selectivity (95%), as well as low activation energy (32.2 kJ mol-1 ). Moreover, both the conversion and selectivity remain above 90% after five reaction cycles. Density functional theory calculations indicate that the introduction of B to P-doped nanoporous carbon significantly increases the electron density at the Fermi level and that the oxidation of benzyl alcohol occurs via a different reaction pathway with a very low energy barrier. These findings provide important insights into the relationship between catalytic performance and electronic structure for the design of dual-doped metal-free carbon catalysts.

A New Concept of Radiation Detection Based on a Fluorochromic and Piezochromic Nanocluster.

Developing materials that possess colorimetric responses to external stimuli is a promising strategy for addressing the current challenges in radiation dosimetry. Currently, colorimetric ionizing-radiation-responsive materials remain underexplored, and those with multistimuli response are rare. Herein, the integration of thorium cation and photoresponsive terpyridine carboxylate ligand gives rise to a thorium nanocluster, Th-101, which displays the second case of fluorochromic response and unprecedented piezochromic behavior among all actinide materials. The emission color of Th-101 exhibits a gradual transition from blue to cyan to green upon irradiation with accumulated dose, which renders colorimetric dosimetry of ionizing radiation based on a red-green-blue (RGB) concept. Further fabricating Th-101 into a custom-built optoelectronic device allows for on-site quantification of radiation dose with merits of ease of operation, rapid readout, and cost-effectiveness.

CO2 Cleavage Reaction Driven by Alkylidyne Complexes of Group 6 Metals and Uranium: A Density Functional Theory Study on Energetics, Reaction Mechanism, and Structural/Bonding Properties.

Designing novel catalysts is essential for the efficient conversion of metal alkylidyne into metal oxo ketene complexes in the presence of CO2, which to some extent resolves the environmental concerns of the ever-increasing carbon emission. In this regard, a series of metal alkylidyne complexes, [b-ONO]M≡CCH3(THF)2 ([b-ONO] = {(C6H4[C(CF3)2O])2N}3-; M = Cr, Mo, W, and U), have been comprehensively studied by relativistic density functional theory calculations. The calculated thermodynamics and kinetics unravel that the tungsten complex is capable of catalyzing the CO2 cleavage reaction, agreeing with the experimental findings for its analogue. Interestingly, the uranium complex shows superior catalytic performance because of the associated considerably lower energy barrier and larger reaction rate constant. The M≡C moiety in the complexes turns out to be the active site for the [2 + 2] cyclic addition. In contrast, complexes of Cr and Mo could not offer good catalytic performance. Along the reaction coordinate, the M-C (M = Cr, Mo, W, and U) bond regularly transforms from triple to double to single bonds; concomitantly, the newly formed M-O in the product is identified to have a triple-bond character. The catalytic reactions have been extensively explained and addressed by geometric/electronic structures and bonding analyses.

Experimental and first-principle computational exploration on biomass cellulose/magnesium hydroxide composite: Local structure, interfacial interaction and antibacterial property.

The specification of the local structure and clarification of interfacial interactions of biomass composites is of tremendous significance in synthesizing novel materials and advancing their performance in various demanding applications. However, it remains challenging due to the limitations of experimental techniques, particularly for the manner that biomass composites commonly have hydrogen bonds involved in the vicinity of active sites and interfaces. Herein, the cellulose/Mg(OH)2 nanocomposite has been synthesized via a simple hydrothermal approach and examined by density functional theory (DFT) calculations. The composite exhibits a layered morphology; Mg(OH)2 flakes are around 50 nm in size and well-dispersed. They either anchor onto the cellulose surface or intercalate between layers. The specific composite structure was confirmed theoretically, in line with XRD, SEM and TEM observations. The interfacial interactions were found to be hydrogen bonding. The average adsorption energy per hydroxyl group was computed to be within -0.47 and -0.26 eV for a composite model comprising three cellulose chains and a two-layered Mg(OH)2 cluster. The combined computational/experimental results allow to postulate the antibacterial mechanism of the nanocomposite.

Van der Waals enhanced interfacial interaction in cellulose/zinc oxide nanocomposite coupled by graphitic carbon nitride.

In-depth understanding of interfacial property is the key to guiding the synthesis of biomass composites with desired performance. However, the exploration is of great challenge due to limitations of experimental techniques in locating hydrogen, requiring large/good crystals and detecting a weak interaction like van der Waals (vdW). Herein, we experimentally and computationally investigated the composite cellulose/zinc oxide/g-C3N4. Hydrothermal synthesis afforded cellulose/ZnO, and then fabricated the ternary composite by adding g-C3N4 under ultrasonic condition. Three components are found to co-exist in the composite, and the ZnO nanoparticle is attaching to cellulose and coupling with g-C3N4. These experimental findings were corroborated by relativistic DFT calculations. The interfacial coupling is elaborated as contributions of dative bonds, hydrogen bonds and vdW interaction. The vdW is increased by a factor of 4.23 in the ZnO/g-C3N4 interface. This improves electron-hole separation and offers prospective application of the composite in photocatalysis, antibacteria and gas sensing.

Importance of gyrokinetic exact Fokker-Planck collisions in fusion plasma turbulence.

Gyrokinetic simulations of turbulence are fundamental to understanding and predicting particle and energy loss in magnetic fusion devices. Previous works have used model collision operators with approximate field-particle terms of unknown accuracy and/or have neglected collisional finite Larmor radius effects. This work moves beyond models to demonstrate important corrections using a gyrokinetic Fokker-Planck collision operator with the exact field-particle terms, in realistic simulations of turbulence in magnetically confined fusion plasmas. The exact operator shows significant corrections for temperature-gradient-driven trapped electron mode turbulence and zonal flow damping, and for microtearing modes in a Joint European Torus pedestal under ITER-like wall conditions. Analysis of the corrections using parameter scans motivates an accurate model which closely reproduces the exact results while reducing computational demands.

2D-layered Mg(OH)2 material adsorbing cellobiose via interfacial chemical coupling and its applications in handling toxic Cd2+ and UO22+ ions.

The interfacial chemistry of nanocomposite materials is of overarching importance in the separation and purification science; moreover, its understanding helps to guide synthesis, clarify structure-property relationship and unearth novel applications. However, the composites feature rather complicated local structures and hydrogen bonds are often involved in the interface and the vicinity of active sites. In this regard, density functional theory first-principle calculations associated with experimental study have synergistically examined two-dimensional (2D) magnesium hydroxide material with different layers and their adsorption toward cellobiose. Hydrogen bonds are found responsible for the interfacial coupling, which make it vital to cover the dispersion correction in the calculation. The average adsorption energy ranges from -0.29 to -0.35 eV, falling well within the range of reported hydrogen-bonding strength. On the basis of calculated structural/interfacial properties and experimental findings, the 2D Mg(OH)2 in terms of three-layer model was unraveled to substitute toxic Cd2+ ion and sorb radioactive UO22+ that is coordinated by water and hydroxyl groups. These reactions are thermodynamically feasible. The ion-exchanging mechanism was proposed for cadmium removal and the outer-sphere adsorption one for uranium extraction.

Visible colorimetric dosimetry of UV and ionizing radiations by a dual-module photochromic nanocluster.

Radiation dosimeters displaying conspicuous response of irradiance are highly desirable, owing to the growing demand of monitoring high-energy radiation and environmental exposure. Herein, we present a case of dosimetry based on a discrete nanocluster, [Th6(OH)4(O)4(H2O)6](TPC)8(HCOO)4∙4DMF∙H2O (Th-SINAP-100), by judiciously incorporating heavy Th6 polynuclear centers as radiation attenuator and organic linkers as photo-responsive sensor. Interestingly, dual-module photochromic transitions upon multiple external stimuli including UV, ß-ray, and γ-ray are integrated into this single material. The striking color change, and more significantly, the visible color transition of luminescence in response to accumulating radiation dose allow an on-site quantitative platform for naked-eye detection of ionization radiations over a broad range (1-80 kGy). Single crystal X-ray diffraction and density functional theory calculations reveal that the dual-module photochromism can be attributed to the π(TPC) → π*(TPC) intermolecular charge transfer driven by enhanced π-π stacking interaction between the adjacent TPC moieties upon irradiation.

Relativistic DFT Probe for Reaction Energies and Electronic/Bonding Properties of Polypyrrolic Hetero-Bimetallic Actinide Complexes: Effects of Uranyl endo-Oxo Functionalization.

A series of hetero-bimetallic actinide complexes of the Schiff-base polypyrrolic macrocycle (L), featuring cation-cation interactions (CCIs), were systematically investigated using relativistic density functional theory (DFT). The tetrahydrofuran (THF) solvated complex [(THF)(OUVIOUIV)(THF)(L)]2+ has high reaction free energy (ΔrG), and its replacement with electron-donating iodine promotes the reaction thermodynamics to obtain uranyl iodide [(I)(OUVIOUIV)(I)(L)]2+ (UVI-UIV). Retaining this coordination geometry, calculations have been extended to other An(IV) (An = Th, Pa, Np, Pu), i.e., for the substitution of U(IV) to obtain UVI-AnIV. As a consequence, the reaction free energy is appreciably lowered, suggesting the thermodynamic feasibility for the experimental synthesis of these bimetallic complexes. Among all UVI-AnIV, the electron-spin density and high-lying occupied orbitals of UVI-PaIV show a large extent of electron transfer from electron-rich Pa(IV) to electron-deficient U(VI), leading to a more stable UV-PaV oxidation state. Additionally, the shortest bond distance and the comparatively negative Eint of the Pa-Oendo bond suggest more positive and negative charges (Q) of Pa and endo-oxo atoms, respectively. As a result of the enhanced Pa-Oendo bond and strong CCI in UVI-PaIV along with the corresponding lowest reaction free energy among all of the optimized complexes, uranyl species is a better candidate for the experimental synthesis in the ultimate context of environmental remediation.

Ternary flower-sphere-like MnO2-graphite/reduced graphene oxide nanocomposites for supercapacitor.

Chemical fabrication of a nanocomposite structure for electrode materials to regulate the ion diffusion channels and charge transfer resistances and Faradaic active sites is a versatile strategy towards building a high-performance supercapacitor. Here, a new ternary flower-sphere-like nanocomposite MnO2-graphite (MG)/reduced graphene oxide (RGO) was designed using the RGO as a coating for the MG. MnO2-graphite (MnO2-4) was obtained by KMnO4 oxidizing the pretreated graphite in an acidic medium (pH = 4). The GO coating was finally reduced by the NaBH4 to prepare the ternary nanocomposite MG. The microstructures and pore sizes were investigated by x-ray diffraction, scanning electron microscopy, thermogravimetric analysis, and nitrogen adsorption/desorption. The electrochemical properties of MG were systematically investigated by the cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy in Na2SO4 solution. The MG as an electrode material for supercapacitor exhibits a specific capacitance of 478.2 and 454.6 F g-1 at a current density of 1.0 and 10.0 A g-1, respectively. In addition, the capacitance retention was 90% after 8,000 cycles. The ternary nanocomposite enhanced electrochemical performance originates from the specific flower-sphere-like morphology and coating architecture bringing higher specific surface area and lower charge transfer resistance (Rct).