Supercapacitor performance and charge storage mechanism of brannerite type CuV2O6/PANI nanocomposites synthesis with their theoretical aspects

Barik, Rasmita; Barik, Gayatree; Tanwar, Vaishali; Ingole, Pravin P.

doi:10.1016/j.electacta.2022.140015

Cited by 17 publications

(5 citation statements)

References 73 publications

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“…Eliminating these gases completely from the environment has been difficult for scientists and researchers for some decades, which is why an insight into the adsorption mechanism and potential of various efficient surfaces is still required; computational screening helps immensely in this regard. Recently, layered materials of different dimensions have attracted considerable attention due to their demonstrated potential as sensors, 17 supercapacitors, 18 catalyst, 19 and nanovehicles. 20 These materials continuously appear in scientific publications and conferences due to their high surface-to-volume ratio and high mechanical and chemical stability.…”

Section: Introductionmentioning

confidence: 99%

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca₁₂O₁₂ Nanostructured Material

et al. 2022

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In recent times, nanomaterials have been applied for the detection and sensing of toxic gases in the environment owing to their large surface-to-volume ratio and efficiency. CO 2 is a toxic gas that is associated with causing global warming, while SO 2 and NO 2 are also characterized as nonbenign gases in the sense that when inhaled, they increase the rate of respiratory infections. Therefore, there is an explicit reason to develop efficient nanosensors for monitoring and sensing of these gases in the environment. Herein, we performed quantum chemical simulation on a Ca 12 O 12 nanocage as an efficient nanosensor for sensing and monitoring of these gases (CO 2 , SO 2 , NO 2 ) by employing high-level density functional theory modeling at the B3LYP-GD3(BJ)/6-311+G(d,p) level of theory. The results obtained from our studies revealed that the adsorption of CO 2 and SO 2 on the Ca 12 O 12 nanocage with adsorption energies of −2.01 and −5.85 eV, respectively, is chemisorption in nature, while that of NO 2 possessing an adsorption energy of −0.69 eV is related to physisorption. Moreover, frontier molecular orbital (FMO), global reactivity descriptors, and noncovalent interaction (NCI) analysis revealed that the adsorption of CO 2 and SO 2 on the Ca 12 O 12 nanocage is stable adsorption, while that of NO 2 is unstable adsorption. Thus, we can infer that the Ca 12 O 12 nanocage is more efficient as a nanosensor in sensing CO 2 and SO 2 gases than in sensing NO 2 gas.

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Section: Introductionmentioning

confidence: 99%

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca₁₂O₁₂ Nanostructured Material

et al. 2022

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“…According to this table, all the previous devices had inferior capacitances (8–201 F g −1 ) and lower energy densities (1.6–72.1 W h kg −1 ). 36,49–55 The highest previously reported capacitance of 201 F g −1 was reached using a Fe–Co alloy, which is ≈3 times lower in comparison with that for our best CuVO/FNC-SC-sw device. Thus, the devices studied here have the highest value of capacitance/energy-density reported so far in the literature (for SCs based on vanadium oxide or alloy compounds).…”

Section: Resultsmentioning

confidence: 53%

CNT/turanite/FeNdCo-alloy electrodes to enhance the capacitance of waterproof/eco-friendly supercapacitors

Balderas-Soto,

Villabona-Leal,

Zakhidov

et al. 2023

New J. Chem.

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“…9 The abundance of these materials on Earth, low cost, and ability to undergo redox reactions with multiple oxidation states have made it highly promising in various applications such as photocatalysis, solar cell technology, supercapacitors, and lithium-ion batteries. 9,[11][12][13][14] Chitosan (Cs) is a polymer found in the shells of marine crustaceans in their natural state. It is categorized as a polysaccharide that has active amino groups, which facilitate chemical and physical interactions with NPs, drugs, polymers, and cells.…”

Section: Introductionmentioning

confidence: 99%

“…Vanadium is a transition metal and an efficient metal used for photodegradation and hydrogen energy production by absorbing the sun's spectrum 9 . The abundance of these materials on Earth, low cost, and ability to undergo redox reactions with multiple oxidation states have made it highly promising in various applications such as photocatalysis, solar cell technology, supercapacitors, and lithium–ion batteries 9,11–14 …”

Section: Introductionmentioning

confidence: 99%

Structural, optical, and dielectric characteristics of chitosan/hydroxypropyl cellulose‐modified copper vanadate nanoparticles

Al‐kalali,

Abdelghany,

Bin Anooz

et al. 2023

Polymer Engineering & Sci

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Chitosan (Cs) and hydroxypropyl cellulose (HPC) blend films were created and incorporated with copper vanadate nanoparticles. The films were characterized using various techniques, including x‐ray diffraction (XRD), attenuated total reflectance‐Fourier transform infrared (ATR‐FTIR), TEM, SEM, UV/vis spectroscopy, dielectric properties, and AC conductivity. The XRD analysis showed that the prepared films had amorphous characteristics. FT‐IR spectra indicated interactions between the Cs/HPC virgin polymers and copper vanadate nanoparticles. TEM analysis showed that the most prevalent size range of the nanoparticles was 20–60 nm. SEM micrographs revealed surface homogeneity at lower copper vanadate nanoparticle contents but increased inhomogeneity with higher contents. The prepared films showed a decrease in the optical energy gap and an increase in refractive index with increasing copper vanadate nanoparticle content. Copper vanadate nanoparticles enhance AC conductivity in Cs/HPC polymer blend. Dielectric analysis proved the suitability of the films for electroactive polymer applications.Highlights The casting process was used to prepare Cs/HPC—copper vanadate NPs films. XRD shows increased amorphousness post‐addition of copper vanadate NPs. SEM images revealed an increase in inhomogeneity with higher contents of copper vanadate NPs. The optical band gap decreased as the content of copper vanadate NPs increased. Copper vanadate nanoparticles greatly improve electrical conductivity and relaxation time.

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Supercapacitor performance and charge storage mechanism of brannerite type CuV2O6/PANI nanocomposites synthesis with their theoretical aspects

Cited by 17 publications

References 73 publications

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca₁₂O₁₂ Nanostructured Material

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca₁₂O₁₂ Nanostructured Material

CNT/turanite/FeNdCo-alloy electrodes to enhance the capacitance of waterproof/eco-friendly supercapacitors

Structural, optical, and dielectric characteristics of chitosan/hydroxypropyl cellulose‐modified copper vanadate nanoparticles

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Supercapacitor performance and charge storage mechanism of brannerite type CuV2O6/PANI nanocomposites synthesis with their theoretical aspects

Cited by 17 publications

References 73 publications

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca12O12 Nanostructured Material

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca12O12 Nanostructured Material

CNT/turanite/FeNdCo-alloy electrodes to enhance the capacitance of waterproof/eco-friendly supercapacitors

Structural, optical, and dielectric characteristics of chitosan/hydroxypropyl cellulose‐modified copper vanadate nanoparticles

Contact Info

Product

Resources

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Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca₁₂O₁₂ Nanostructured Material

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca₁₂O₁₂ Nanostructured Material