Electrochemical Studies Research Articles

Renewable cold plasma exposed activated carbon-derived eucalyptus leaves (EL) as electrode in fabricating low-cost energy storage devices

ABSTRACT The activated carbon made from Eucalyptus leaves was created using an environmentally friendly physical activation process, and it was then subjected with the low temperature plasma to increase its surface area and porosity, as shown by structural and morphological characteristics. The nanoparticles’ surface layers are altered by the plasma treatment, improving surface characteristics like wettability, adhesion, and surface area that were investigated using structural, morphological, and electrochemical studies. The air-plasma-treated KOH exhibits a specific capacitance of 1591 F/g for 1.5 mA, which can be utilized to prepare an electrode material for the energy storage application. The electrochemical investigation was conducted for the untreated and air, oxygen-plasma-treated carbon, demonstrating the better specific capacitance for the air plasma treatment, which can be used to prepare an electrode material for the low-cost fabrication of the devices.

Flexible Ni‐Based Bimetallic Spinel Oxide (NiM2O4, M = Mn, Fe, Co) Electrodes for Supercapacitor Applications

Herein, the single‐phase Ni‐based bimetallic spinel oxide (NiM2O4, M = Mn, Fe, Co) nanoparticles are successfully synthesized by sol–gel method and coated on a carbon cloth substrate to form flexible electrodes for supercapacitor applications. The effects of transition metal activity, calcination temperature, surface, and textural properties on the electrochemical properties of spinel electrode materials are demonstrated. It is found that lowering the calcination temperature results in a decrease in crystallite size and particle size, leading to an increase in surface area and pore volume. X‐Ray absorption spectroscopy reveals the presence of Mn2+/3+, Fe2+/3+, and Co2+/3+ in materials. According to the electrochemical studies, NiMn2O4 electrode in Na2SO4 electrolyte exhibits electrical double‐layer capacitance behavior, while NiFe2O4 and NiCo2O4 electrodes in KOH electrolyte exhibit pseudocapacitive behavior. All electrode materials have low solution resistance and charge transfer resistance. NiCo2O4 provides the highest specific capacitance (85.60 F g−1 at 2.5 A g−1) followed by NiFe2O4 and NiMn2O4. It seems likely that the high electrochemical activity of Co2+/3+ and small particle size of NiCo2O4 nanoparticles play an important role in improving the redox process and charge transfer, which may enhance the electrochemical performance of this electrode material.

3,6‐Divinyl‐N‐arylcarbazoles‐bridged diruthenium complexes bearing two Ru(CO)Cl(PiPr3)2 moieties: Polyelectrochromism and electronic coupling

A series of five 3,6‐divinyl‐N‐arylcarbazoles‐bridged diruthenium complexes with a general formula of [{Ru(CO)Cl(PiPr3)2}2(μ‐(CH=CH)2‐(N‐arylcarbazole)‐3,6); aryl = 4‐anisyl; [1a], 4‐tolyl; [1b], phenyl; [1c], 4‐(trifluoromethyl)phenyl; [1d], and 4‐nitrophenyl; [1e]] were successfully synthesized. These new square‐pyramidal bis(ruthenium‐vinyl)‐type complexes were characterized in their neutral state via classical NMR, UV/Vis, and IR spectroscopic techniques and in their three various accessible oxidized states via electrochemical techniques and ESR spectroscopy along with UV/Vis/NIR and IR spectroelectrochemistry as well as with DFT calculations. Our obtained results were compared with the closely related bis(ruthenium‐vinyl)‐appended N‐(4‐anisyl)diphenylamine TAARu2 counterpart of [1a]. Electrochemical studies on complexes [1a]–[1e] revealed three consecutive, chemically and electrochemically, well‐separated, reversible one‐electron oxidation processes at low and well‐accessible potentials. Their half‐wave potential separations ΔE½ between the individual redox waves and the derived comproportionation constants Kc1–Kc3 attribute to noteworthy stability of every oxidized intermediate state. The concert electrochemical and UV/Vis/NIR/IR spectro(electro)scopic results on these rotationally restricted N‐arylcarbazoles‐bridged bis(ruthenium‐alkenyl)‐type complexes [1a]–[1e] confirmed the relative weakness influence of altering the para‐substituent on the peripheral aryl ring. This is most probably due to the sizable torsion with nearly 55° between the co‐planarity of the carbazole heterocycle core and the peripheral N‐bound aryl ring. In their mixed‐valent (MV) radical states [1a]+–[1e]+, the observed pattern of two well‐separated Ru(C≡O) bands mirrors the uneven distribution of the uni‐positive charge over the two chemically equivalent bis(ruthenium‐vinyl) moieties as indicated by classical class II of Robin–Day classification of MV states.

Chemical, electrochemical, and quantum investigation into the use of an organophosphorus derivative to inhibit copper corrosion in acidic environments

In order to protect the copper against corrosion, a novel corrosion inhibitor known as diphenyl ((2-aminoethyl) amino) (4-methoxyphenyl) methyl) phosphonate (DAMP) was developed. Acid solutions of HCl and H2SO4 were the aggressive solutions employed in this study. Analysis using the FT-IR, 1H-NMR, 31P-NMR, 13C-NMR and BET confirmed that the DAMP was successfully synthesized. The anti-corrosion capabilities of DAMP are evaluated using a combination of chemical, electrochemical and quantum studies. The DAMP has been found to be crucial in preventing the corrosion of copper in both HCl and H2SO4 acid. This was obviously implied by the observation that the corrosion rate of copper in acid solutions decreased when DAMP was added. It is significant to note that 180 ppm produced the highest levels of inhibiting efficiency (96.6% for HCl and 95.2% for H2SO4). The tendency of DAMP to adsorb on the surface of copper through its hetero-atoms (O, N, and P) is the main factor for the anti-corrosion capabilities of DAMP. Results from SEM/EDX tests supported this. The actual adsorption takes place via various active centers, physical and chemical mechanisms that are coordinated with the estimated quantum parameters. Additionally, the adsorption of DAMP adheres to the Langmuir isotherm.

Synthesis, Stability, Meisenheimer Complex Formation, and Charge‐Transfer Properties of Ultra‐Electron‐Deficient Tetracyano‐Naphthalene Diimides

Tetra‐cyano substituted naphthalene diimides (TCNDIs) with calculated LUMO of ‐5.2 eV, form one of the strongest electron‐acceptors known to date. However, the synthesis and isolation of this class of molecules remain challenging due to its reactivity emanating from its ultra‐electron‐deficiency. Herein we have established an improved synthetic methodology of TCNDIs with cost‐effective reagents and circumventing metallic catalysts. The synthesis is amenable to TCNDIs with the shortest axial alkyl groups, i.e., methyl group and also longer alkyl chains. We also gained insight on how axial alkyl chain lengths influence electron‐deficiency, Meisenheimer complex formation, reactivity, and charge‐transfer of TCNDIs from computation, spectroscopy, and electrochemical studies. The TCNDIs with Me/Et axial groups were found to be more susceptible to moist solvents vis‐à‐vis the TCNDIs with longer alkyl groups. The single crystal structures of the TCNDIs show infinitely π‐stacked structure, and a new C=O···C≡N or C≡N···π motif is discerned. Finally, toluene‐mediated charge‐transfer properties of TCNDIs in the single crystals as well as in solution have been examined.

Electrochemical study and structural comparison of Ni electrodepositions on W/Si and Cr/C multilayered structure films

Abstract The Ni electrodeposition combined with multilayered structure film is a promising strategy in modern optical manufacturing, while less effort has been devoted to comprehending the electrochemical reaction process, which is essential for their practical applications. In view of this, the initial reduction dynamics and nucleation mechanisms of Ni electrodepositions on multilayer W/Si and Cr/C films were analyzed in this work, and the morphological, crystal, and mechanical characteristics of produced Ni electrodeposits were further determined and compared. The results show that the considerably irregular crystals accompanied by high tensile stress of 119.5 MPa were formed for the Ni electrodeposit on W/Si film, which were mainly attributed to the progressive nucleation process with more severe side reaction of hydrogen evolution. By contrast, the instantaneous nucleation mode with lower reduction resistance were revealed for the Ni electrodeposition on Cr/C film, which presented a comparatively fine–grained texture, less roughness, and smaller stress structure. To summarize, the more stable electrochemical reaction process and improved structure uniformity are obtained for the Ni electrodeposition on metal/C–based film, which offers a theoretical guidance for optimized fabrication of multilayer optical devices in extreme ultraviolet, X–ray, and neutron focusing fields.

A Nanocrystallite CuS/Nitrogen‐Doped Carbon Host Improves Redox Kinetics in All‐Solid‐State Li2S Batteries

AbstractAll‐solid‐state Li–S batteries are a promising energy storage system that can solve the shuttle effects of polysulfides in liquid Li–S batteries. However, sluggish solid‐state reaction kinetics and the low conductivity of cathode materials have impeded their development. Here, a N‐doped carbon embedded with CuS nanoparticles (CuSNC) is reported as a host for Li2S in all‐solid‐state batteries that addresses some of these issues. Electrochemical studies, supported by a combination of X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), X‐ray absorption spectroscopy (XAS), electron microscopy, and density functional theory (DFT) calculations reveal that CuSNC provides good affinity to Li2S. This lowers the activation barrier for the conversion of Li2S to sulfur on the charge, suggesting an electrocatalytic effect on the CuS surface. Li+ diffusion in the cathode and the reaction kinetics are enhanced compared to N‐doped graphene. The CuSNC/Li2S cathode reaches an areal capacity of 1.8 mAh cm−2 and a retention rate of 94% after 100 cycles. At a 1.0 mA cm−2 current density, CuSNC/Li2S maintains stable performance over 500 cycles with a low decay rate (0.05% per cycle); at a higher Li2S loading, delivers a capacity of 9.6 mAh cm−2, albeit with more limited cycling. This study provides a promising way to design Li2S cathodes to achieve improved reaction kinetics and better electrochemical performance.

Exploring Flower-Structured Bifunctional VCu Layered Double Hydroxide and its Nanohybrid with g-C3N4for Electrochemical and Photoelectrochemical Seawater Electrolysis.

Seawater electrolysis holds great promise for sustainable green hydrogen generation, but its implementation is hindered by high energy consumption and electrode degradation. Two dimensional (2D) layered double hydroxide (LDH) exhibits remarkable stability, high catalytic activity, and excellent corrosion resistance in the harsh electrolytic environment. The synergistic effect between LDH and seawater ions enhances the oxygen evolution reaction, enabling efficient and sustainable green hydrogen generation. Here, we report a synthesis of low cost, novel 2D Vanadium Copper (VCu) LDH first time in the series of LDH's as a highly efficient bifunctional electrocatalyst. The electrochemical (EC) and photoelectrochemical (PEC) study of VCu LDH and VCu LDH/Graphite Carbon Nitride (g-C3N4) nanohybrid was performed in 0.5 M H2SO4 (acidic), 1 M KOH (basic), 0.5 M NaCl (artificial seawater), 0.5 M NaCl + 1 M KOH (artificial alkaline seawater), real seawater and 1 M KOH + real seawater (alkaline real seawater) electrolyte medium. It was found that VCu LDH shows a remarkable lower overpotential of 72 mV hydrogen evolution reaction (HER) and 254 mV oxygen evolution reaction (OER) at current density of 10 mA/cm2 under alkaline real seawater electrolysis exhibiting bifunctional activity and also showing better stability.

Investigation on electrochemical corrosion behavior and mechanical properties of Fe-nano particles produced by high-energy ball milling technique

Abstract This study focuses on converting iron particles from grinding sludge, after removing impurities, into Fe-nanoparticles using high-energy ball billing. The goal is to examine the corrosion behaviors and mechanical properties of these Fe-nanoparticles. Nanostructured Fe-powder was synthesized through a process involving 10 h of high-energy ball milling, followed by conventional hot pressing and sintering. Structural and microstructural properties were thoroughly examined using techniques such as X-ray diffraction (XRD), optical microscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and elemental diffraction spectroscopy. Upon sintering, SEM and TEM analyses unveiled the formation of a nanostructured alloy within the samples. Notably, the milled sample exhibited high hardness value, measuring at 155 HV. However, it is noteworthy that the un-milled sample demonstrated superior compression strength compared to its milled counterpart. Furthermore, the corrosion behavior of the samples was evaluated through electrochemical corrosion studies. Interestingly, the sample subjected to 10 h of milling (coin number 5) displayed a significantly lower corrosion rate, measuring at 1.3921 mm/year, suggesting enhanced corrosion resistance attributed to the nano structuring process.

Metal Organic Framework Derived Spinel Nickel‐Ferrites Employing Reduced Graphene Oxide Template for Supercapacitor and Photocatalytic Dye Degradation

AbstractSpinel oxides from transition metals are the most crucial components for producing supercapacitive electrodes and photocatalytic semiconductor materials. However poor electrical conductivity and restricted specific energy of these materials are two main drawbacks for energy storage applications. This investigation used reduced graphene oxide templated spinel nickel ferrites nanoparticles (RGO@SNFs), synthesized using Fe2Ni MIL‐88 MOF via hydrothermal conditions followed by a pyrolysis process. The structural properties and morphology of the hybrid are characterized through several methods, including XRD, FTIR, BET‐PSD, and FESEM. Superconducting electrochemical studies such as Galvano static charge‐discharge, impedance spectroscopy and cyclic voltammetry are carried out on a hybrid electrode to examine the impact of the RGO template on SNF nanoparticles. This electrode may be an alluring choice for supercapacitor applications because of its capacitance 115 F/g and retention rate of approximately 95 % following 2000 cycles. Additionally, a model dye degradation process utilizing Rhodamine B (RhB) was used to examine the photodegradation action of these materials. The designed catalyst also represents excellent photo‐degradation activity toward RhB, and seventy‐five minutes of sun light were enough to destroy about 99 % of the dye.

Characterization and antibacterial studies of Sn doped CuO nanocomposite using centratherum punctatum leaf extract

In order to synthesize CuO, SnO2, and Sn doped CuO nanocomposites, accessible and non-toxic materials, specifically leaf extract from Centratherum punctatum, were used in this work to apply the concepts and practices of green chemistry. These methods are both economical and environmentally friendly. A comprehensive range of characterisation techniques, including as FTIR, X-ray diffraction, and UV-vis spectroscopy, were also used to confirm the structures of all the produced nanomaterials. Instead, FESEM and EDAX were used to analyze the morphologies and elemental composition of recently produced nanomaterials. A decline in the optical band gap values was indicated by the red shift observed in the UV-vis study following tin doping. A sample's presence of different functional groups is confirmed by FT-IR analysis. For CuO NPs, SnO2, and Sn doped CuO NCs, the XRD results yielded crystallite sizes of 6 nm, 21 nm, and 29 nm, respectively, for the produced particles. The ferromagnetic, diamagnetic, and super paramagnetic characteristics of the produced samples at room temperature were validated by vibrating sample magnetometer experiments. Cyclic voltammetry is used to examine the nanoparticles' electrochemical analysis. Using Sn doped CuO nanocomposite material, it shows a high specific capacitance value of about ~187 Fg-1 at a current density of 10 mV/s. It was found from the electrochemical studies that the produced nanomaterials are suitable for capacitive behaviour. After all, the presence of inhibition zones surrounding each well led us to the conclusion that the nanoparticles exhibited antibacterial activity against the pathogenic strains of Staphylococcus aureus and Escherichia coli.

Microwave synthesis of magnesium phosphate-rGO as an effective electrode for supercapacitor application

Abstract Transition metal phosphate based materials is being used for energy storage because of P–O covalent bond which facilitates more storage compared to other transition metals and this covalent bond enhanced the electrochemical performance for supercapacitor applications. Pure magnesium phosphate (Mg3(PO4)2) were synthesized via microwave synthesis as the composite varies with rGO (MgPO-XrGO) X=25,50,75,100mg. The prepared composite materials were examined employing XRD, Raman, FT-IR, SEM and XPS studies. Electrochemical studies (CV, EIS, GCD) of three electrode system for the prepared electrodes were performed using Biologic SP-150 with 2M (H2SO4) as electrolyte. From the XRD results, triclinic structured MgPO was confirmed (JCPDS card #35–0329) and rGO has enhanced the crystallinity of MgPO composite. From Raman analyses, the well graphitization nature of rGO in composite MgPO was identified and from XPS analysis chemical composition of the elements was analyzed. The FT-IR fundamental modes of vibrations of PO 4 3 − ${\text{PO}}_{4}^{3-}$ (γ 1,γ 3,γ 4) were obtained. The electrochemical analysis of the prepared material such as pure and composite materials showed better performance. The high specific capacitance was obtained for MgPO-50rGO because MgPO has high coordination with rGO. As Mg2+ oxidation state has high chemical reactivity compared to other earth metals and other advantage is P–O covalent bond that enhanced the performance of the electrode. By facilitating these advantages, rGO is included as composite to develop the electrode to favor the practical applications. By using the optimum level rGO composite with MgPO4-50rGO a better new candidate was successfully developed for supercapacitor applications. The fabricated MgPO-50rGO//Activate carbon full cell set up exhibited the specific capacitance 61 Fg−1 at 1 Ag−1, 21.7 Wh kg−1 energy density and 790.0 W kg−1 power densities and explored outstanding capacitive retention in 2 electrode full cell setup cyclic stability of 99.1 % over the 5000 cycles.

A General Iron-Catalyzed Decarboxylative Oxygenation of Aliphatic Carboxylic Acids.

We report an iron-catalyzed decarboxylative C(sp3)-O bond-forming reaction under mild, base-free conditions with visible light irradiation. The transformation uses readily available and structurally diverse carboxylic acids, iron photocatalyst, and 2,2,6,6-tetramethylpiperidine 1-oxyl (TEMPO) derivatives as oxygenation reagents. The process exhibits a broad scope in acids possessing a wide range of stereoelectronic properties and functional groups. The developed reaction was applied to late-stage oxygenation of a series of bio-active molecules. The reaction leverages the ability of iron complexes to generate carbon-centered radicals directly from carboxylic acids by photoinduced carboxylate-to-iron charge transfer. Kinetic, electrochemical, EPR, UV-Vis, HRMS and DFT studies revealed that TEMPO has a triple role in the reaction: as an oxygenation reagent, an oxidant to turn over the Fe-catalyst, and an internal base for the carboxylic acid deprotonation. The obtained TEMPO adducts represent versatile synthetic intermediates that were further engaged in C-C and C-heteroatom bond-forming reactions using commercial organo-photocatalysts and nucleophilic reagents.

A General Iron‐Catalyzed Decarboxylative Oxygenation of Aliphatic Carboxylic Acids

We report an iron‐catalyzed decarboxylative C(sp3)–O bond‐forming reaction under mild, base‐free conditions with visible light irradiation. The transformation uses readily available and structurally diverse carboxylic acids, iron photocatalyst, and 2,2,6,6‐tetramethylpiperidine 1‐oxyl (TEMPO) derivatives as oxygenation reagents. The process exhibits a broad scope in acids possessing a wide range of stereoelectronic properties and functional groups. The developed reaction was applied to late‐stage oxygenation of a series of bio‐active molecules. The reaction leverages the ability of iron complexes to generate carbon‐centered radicals directly from carboxylic acids by photoinduced carboxylate‐to‐iron charge transfer. Kinetic, electrochemical, EPR, UV‐Vis, HRMS and DFT studies revealed that TEMPO has a triple role in the reaction: as an oxygenation reagent, an oxidant to turn over the Fe‐catalyst, and an internal base for the carboxylic acid deprotonation. The obtained TEMPO adducts represent versatile synthetic intermediates that were further engaged in C–C and C–heteroatom bond‐forming reactions using commercial organo‐photocatalysts and nucleophilic reagents

Green Synthesis of NiO Nanoparticles Using the Shell Waste of Prunus dulcis: their Characterization and Electrochemical Studies

Green Synthesis of NiO Nanoparticles Using the Shell Waste of Prunus dulcis: their Characterization and Electrochemical Studies

Synthesis and evaluation of benzo[1,2,3]selenadiazole-isoxazoles as corrosion inhibitors for copper in NaCl: An integrated experimental and theoretical approach

In this study, we investigate the protective capabilities of two synthetic compounds, 5-methyl-5-(4-methylbenzo[d][1,2,3]selenadiazol-7-yl)-3-phenyl-4,5-dihydro-isoxazole (BHP) and 5-methyl-5-(4-methylbenzo[d][1,2,3]selenadiazol-7-yl)-3-(4-nitrophenyl)-4,5-dihydro-isoxazole (BNP), as corrosion inhibitors for copper in a 3.5 wt% NaCl solution. The chemical structure of these benzo[1,2,3]selenadiazolyl-isoxazole derivatives combines a benzo[1,2,3]selenadiazole core, which to our knowledge has not been previously studied for its anticorrosive activity on copper, with an isoxazole nucleus known in the literature as one of the most effective azoles in preventing copper corrosion. The efficiency and mechanism of copper corrosion inhibition were evaluated through electrochemical, theoretical, and morphological studies. Potentiodynamic polarization (PDP) showed that both BHP and BNP were effective in inhibiting copper corrosion. At 10−3 M, BHP showed a maximum inhibition efficiency of 80.24 %, while BNP achieved an even higher efficiency of 89.83 %. Adsorption behavior analysis indicated that both compounds followed the Langmuir isotherm. In addition, the high value of Kads (103 M−1) indicates a strong adsorption capacity of our molecules on the copper surface. The negative adsorption free energy (ΔG°ads=−34.14kJ/mol for BHP and ΔG°ads=−34.00kJ/mol for BNP) indicates a spontaneous adsorption process. Electrochemical impedance spectroscopy (EIS) showed that both compounds formed a thin protective layer on the copper surface, a finding further supported by surface morphology studies using scanning electron microscopy (SEM-EDX) and ATR-FTIR analysis.

An electrochemical, and surface studies of synthesized Gemini ionic liquid as corrosion inhibitor for carbon steel in petroleum field

In this work, we study the efficiency of N1, N3-dibenzyl-N1, N1, N3, N3-tetramethylpropane-1,3-diaminium chloride, as anticorrosion. This compound exhibits potential as a prospective remedy to stop the deterioration of carbon steel caused by corrosion in 1.0 M HCl. The synthesis of this compound is described in a comprehensive manner, and its composition is supported by a range of precise analytical approaches such as elemental analysis, and mass spectroscopy. Based on the findings of the investigation, the synthesized Gemini ionic liquid demonstrates a robust capacity to slow down the rate at which the metal corrodes. The Prepared compound was evaluation by electrochemical and morphology study. Our results revealed that elevating the inhibitor concentration led to an augmentation in inhibition effectiveness, reaching up to 94.8% at 200 ppm of the synthesized compound at 298 K. It is crucial to emphasize that the recently prepared Gemini ionic liquid is consistent with the Langmuir adsorption model and function as a mixed inhibitor, participating in the physio-chemisorption process of adsorption.

Synthesis, Characterization, and Properties of a Titanium(IV)-Tetrathiafulvalene-Based Complex.

To deeply investigate the interaction between a tetrathiafulvalene (TTF) unit and a Ti(IV) center, a monomeric heteroleptic octahedral Ti(IV) complex containing a diimine ligand composed of a 1,10-phenanthroline core fused with a TTF fragment (ligand 2a) was prepared. The stable complex formulated as Ti(1)2(2a), where 1 is a 2,2'-biphenolato derivative, was efficiently synthesized by following a one-step approach. This complex and its model species [Ti(1)2(2b)] were fully characterized in solution, and their solid-state structures were established by single-crystal X-ray diffraction analysis. Density functional theory calculations allowed the assignment of the frontier orbitals involved in the electronic transitions characterized by ultraviolet-visible absorption spectroscopy. Electrochemical and spectroelectrochemical studies revealed that the TTF unit within Ti(1)2(2a) can undergo two reversible one-electron oxidation processes; a reversible one-electron reduction of the Ti(IV) atom was highlighted. The photophysical measurements performed for this donor-acceptor molecular system indicated that an electron transfer process upon light excitation occurred within Ti(1)2(2a).

Ferrocene-based amides, amines and alcohols as a platform for the design and synthesis of redox-active hybrids: Synthesis, electrochemical and computational studies

Herein we report on the synthesis and characterization of a number of the simplest ferrocenes, namely Fc-amides (4a-i), Fc-amines (5a-i) and Fc-alcohol (1), as starting materials for the synthesis of redox-active ferrocene-modified compounds. Suitable conditions allowed preparing a seria of various ferrocenes with aliphatic and aromatic substituents in good to high yields. The title products were characterized by 1H, 13C NMR, IR, ESI-MS analytical methods. The structure of ferrocenyl(ortho-chlorophenyl) methanol (1) was determined by single-crystal X-ray diffraction. Geometrical parameters in compound 1 were calculated using the ab initio MP2/6-31G* method and based on the advanced DFT calculations, DFT wb97xd/6-31G* and DFT wb97xd/6-311+G*. Electrochemical investigations by cyclic voltammetry revealed reversible redox processes for the ferrocenyl amides. Potentials were also calculated using two basis sets, 6-31G* and 6-311+G*, and demonstrated a high degree of correlation with experimental results.

Synthesis, characterization, and implementation of BaNiO3 perovskite nanoparticles as thin film supercapacitor electrode

AbstractThis work is the first attempt to explore the supercapacitor applications of Barium nickelate (BaNiO3) perovskite nanoparticles. The nanoparticles are synthesized using a simple combustion method and their morphology, elemental composition, and so forth are studied using standard characterization methods such as x‐ray diffraction spectroscopy (XRD), field emission scanning electron microscopy (FESEM), and so forth. The nanoparticles were found to be hexagonal in shape, with an average particle size of 16 nm, and the elemental analysis confirms the successful synthesis of the BaNiO3 perovskite nanoparticles. For electrochemical studies, the electrodes are fabricated over a wearable and flexible conductive fabric (CF) substrate. A slurry paste of the synthesized BaNiO3 nanoparticles is applied over CF and dried overnight, thereby forming a thin film electrode. The fabricated electrode acts as a positive electrode with a high specific capacitance of 508.64 F g−1 at 2.2 A g−1 current density. Upon increasing the current density, the electrode maintains 60% of its specific capacitance and displays 97% cyclic stability over 5000 cycles. The electrochemical impedance spectroscopy (EIS) study indicates excellent conductivity of the electrode, with a bulk resistance of 3.2 Ohms. The electrochemical performance of the fabricated electrode is also compared with various previously reported works and the electrode displays higher specific capacitance and better cyclic stability. These findings suggest that the BaNiO3 perovskite nanoparticles‐based electrode holds promise for utilization as an anode material in supercapacitor applications.