School Of Basic And Applied Sciences
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Item Theoretical investigation of quantum capacitance of Co-doped ?-MnO2 for supercapacitor applications using density functional theory(Royal Society of Chemistry, 2023-09-07T00:00:00) Vijayan, Ariya K.; Sreehari, M.S.; Kour, Simran; Dastider, Saptarshi Ghosh; Mondal, Krishnakanta; Sharma, A.L.The rapid depletion of fossil fuels and ever-growing energy demand have led to a search for renewable clean energy sources. The storage of renewable energy calls for immediate attention to the fabrication of efficient energy storage devices like supercapacitors (SCs). As an electrode material for SCs, MnO2 has gained wide research interest because of its high theoretical capacitance, variable oxidation state, vast abundance, and low cost. However, the low electric conductivity of MnO2 limits its practical application. The conductivity of MnO2 can be enhanced by tuning the electronic states through substitution doping with cobalt. In the present work, first principles analysis based on density functional theory (DFT) has been used to examine the quantum capacitance (CQC) and surface charge (Q) of Co-doped MnO2. Doping enhanced the structural stability, electrical conductivity, potential window, and quantum capacitance of ?-MnO2. The shortened band gap and localized states near the Fermi level improve the CQC of ?-MnO2. For the narrow potential range (?0.4 to 0.4 V), the CQC is observed to increase with doping concentration. The highest CQC value at +0.4 V is observed to be 2412.59 ?F cm?2 for Mn6Co2O16 (25% doping), five times higher than that of pristine MnO2 (471.18 ?F cm?2). Mn6Co2O16 also exhibits better CQC and �Q� at higher positive bias. Hence, it can be used as an anode material for asymmetric supercapacitors. All these results suggest better capacitive performance of Co-doped ?-MnO2 for aqueous SCs and as an anode material for asymmetric supercapacitors. � 2023 The Royal Society of Chemistry.Item Mesoporous carbon/titanium dioxide composite as an electrode for symmetric/asymmetric solid?state supercapacitors(Elsevier Ltd, 2022-08-27T00:00:00) Arya, Anil; Iqbal, Muzahir; Tanwar, Shweta; Sharma, Annu; Sharma, A.L.; Kumar, VijayThis paper reports the successful synthesis of mesoporous carbon/titanium dioxide (MC/TiO2) composite electrodes via the hydrothermal method for supercapacitor (SC) applications. The morphology and structural properties of MC/TiO2 composites were examined by X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transform infrared spectra (FTIR). The electrochemical properties were recorded by cyclic voltammetry (CV) and galvanostatic charge/discharge (GCD) with an electrolyte (6 M KOH) in symmetric/asymmetric configuration. The specific capacitance (Cs) evaluated by CV is about 280F/g for composite electrode (95 % capacitance retention after 1000 cycles) and pristine has 150F/g @ 10 mV/s. Enhancement in capacitance is owing to faster charge dynamics within electrode material. The fabricated asymmetric device demonstrates high energy density (30.31 Wh/kg), than the symmetric configuration (?27 Wh/kg). Finally, both symmetric/asymmetric supercapacitors have illuminated a red LED, and strengthens the candidature of composite electrode for energy storage technology. � 2022 Elsevier B.V.Item Synergistically modified WS2@PANI binary nanocomposite-based all-solid-state symmetric supercapacitor with high energy density(Royal Society of Chemistry, 2022-03-09T00:00:00) Iqbal, Muzahir; Saykar, Nilesh G.; Alegaonkar, Prashant S.; Mahapatra, Santosh K.The rapid development of intelligent, wearable, compact electronic equipment has triggered the need for durable, flexible, and lightweight portable energy storage devices. Nanomaterials that are capable of delivering the high specific power density and commensurate energy density are potential candidate for realizing such devices. Herein, we report the facile synthesis of a binary nanocomposite WS2@PANI by utilizing hydrothermal and physical blending techniques to assess it as an electrode material for high-performance supercapacitors. The nanocomposite electrode delivered specific capacitance >335 F g?1 @ 10 mV s?1 (two-electrode), achieving energy and power densities of ?80 W h kg?1 and ?800 W kg?1, respectively, with capacitance retention of 83% even after 5000 charge-discharge cycles @ 10 A g?1, all of which are superior to the WS2 electrode. Dunns model quantifies capacitive and intercalative contributions that showed the cumulative effect of both to realize a robust, cost-effective, and energy-efficient device. The strategically incorporated PANI broadened the electrochemical window and the device's overall performance, resulting in high specific energy density. We demonstrated that our all-solid-state symmetric supercapacitor could be used to illuminate a light-emitting diode and drive a rotary motor. We believe that our WS2@PANI binary nanocomposite will be a potential candidate for energy storage devices. � 2022 The Royal Society of ChemistryItem Enhanced capacitive behaviour of graphene nanoplatelets embedded epoxy nanocomposite(Springer, 2021-01-06T00:00:00) Raval, Bhargav; Sahare, P.D.; Mahapatra, S.K.; Banerjee, I.For the development of advanced polymer nanocomposite processability, high-quality and cost-efficiency plays a crucial role which combines mechanical robustness with functional electrochemical properties. In this study, we fabricated the epoxy/graphene nanocomposite (EGNC) with different wt% ratio of graphene nanoplatelets (GNPs). The EGNCs were fabricated through a solution mixing process and used it as an electrode to enhance electrochemical properties. The GNPs and EGNCs characterized using XRD, Raman spectroscopy, ATR FT-IR, and FE-SEM for the structural conformation and surface morphological study. The electrochemical analysis results show significant improvement in the specific capacitance in the EGNC samples as compared to the blank epoxy film. Specific capacitance 17.74 Fg?1 was recorded at 10 mVs?1 scan rate in 1.0�M KOH electrolyte solution for the 1.0 wt% EGNC film by cyclic voltammetry analysis. The Galvanostatic charge�discharge and Ragone plots also show mended results by the addition of GNPs. � 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature.Item Nanofiller-assisted Na+-conducting polymer nanocomposite for ultracapacitor: structural, dielectric and electrochemical properties(Springer, 2021-01-04T00:00:00) Kamboj, Vashu; Arya, Anil; Tanwar, Shweta; Kumar, Vijay; Sharma, A.L.We report the preparation of ZrO2 nanofiller-incorporated polymer nanocomposite electrolyte based on the PEO-NaPF6 matrix via standard solution cast method. The structure and morphology of polymeric films have been examined with X-ray diffraction and field emission scanning electron microscopy. Different interactions between the polymer, salt and nanofiller have been examined by Fourier transform infrared technique. The temperature-dependent (40�100��C) electrical conductivity has been examined from complex impedance spectroscopy (CIS). The highest ionic conductivity is exhibited by 5�wt% nanofiller-based electrolyte and recorded ~ 2 � 10�4�S�cm?1 at 100��C. The voltage stability window of polymeric film checked from linear sweep voltammetry is about ~ 4�V, and ion transference number close to unity confirms the major contribution from ion conduction. The dielectric properties have been explored in terms of complex permittivity, loss tangent and complex conductivity. The dielectric plots have been further fitted with an associated equation to evaluate principal dielectric parameters. The optimized polymer electrolyte possesses the lowest relaxation time and the highest dielectric constant that suggests the highest ionic conductivity, which is in good correlation with impedance results. The dc conductivity is also highest for the optimum system, and relaxation time decreases with an increase in temperature. The thermal stability of polymer electrolytes is about 200��C, as examined by thermogravimetric analysis (TGA). The ion transport parameters n, ?, D have been evaluated via FTIR, impedance spectroscopy and Bandara and Mellander (B�M) approach. Finally, the optimized polymer nanocomposite film has been used as an electrolyte-cum-separator for the fabrication of a solid-state symmetric supercapacitor. The electrochemical parameters specific capacitance, energy density, power density have been examined from cyclic voltammetry and galvanostatic charge�discharge technique. It may be concluded that nanofiller incorporation is an effective strategy to enhance the properties of electrolyte and has the potential to adopt as an electrolyte-cum-separator for ultracapacitor. � 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature.Item Cu-Metal Organic Framework Derived Multilevel Hierarchy (Cu/CuxO@NC) as a Bifunctional Electrode for High-Performance Supercapacitors and Oxygen Evolution Reaction(American Chemical Society, 2023-05-25T00:00:00) Abbas, Zahir; Hussain, Nissar; Ahmed, Imtiaz; Mobin, Shaikh M.The development of a MOFs-derived multilevel hierarchy in a single step still remains a challenging task. Herein, we have synthesized novel Cu-MOF via a slow diffusion method at ambient temperature and further utilized it as a precursor source for MOF-derived multilevel hierarchy (Cu/CuxO@NC, x = 1 and 2). This studies suggest that the organic ligands served as a source of an N-doped carbon matrix encapsulated with metal oxide nanoparticles which were confirmed by various characterization techniques; further BET analysis reveals a surface area of 178.46 m2/g. The synthesized multilevel hierarchy was utilized as an electro-active material in a supercapacitor that achieved a specific capacitance of 546.6 F g-1 at a current density of 1 A g-1 with a higher cyclic retention of 91.81% after 10 000 GCD cycles. Furthermore, the ASC device was fabricated using Cu/CuxO@NC as the positive electrode and carbon black as the negative electrode and utilized to enlighten the commercially available LED bulb. The fabricated ASC device was further employed for a two-electrode study which achieved a specific capacitance of 68 F g-1 along with a comparable energy density of 13.6 Wh kg-1. Furthermore, the electrode material was also explored for the oxygen evolution reaction (OER) in an alkaline medium with a low overpotential of 170 mV along with a Tafel slope of 95 mV dec-1 having long-term stability. The MOF-derived material has high durability, chemical stability, and efficient electrochemical performance. This work provides some new thoughts for the design and preparation of a multilevel hierarchy (Cu/CuxO@NC) via a single precursor source in a single step and explored multifunctional applications in energy storage and an energy conversion system. � 2023 American Chemical Society.