Journal Articles
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Item Stone-Wales Defect Induced Performance Improvement of BC3 Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications(American Chemical Society, 2020) Thomas, S.; Madam, A.K.; Asle Zaeem, M.A.First-principles density functional theory (DFT) computations were adopted to assess the potential application of a boron carbide (BC3) monolayer with point and topological defects as an anode material in alkali metal-based lithium (Li) ion rechargeable batteries. Results show that point defects (mono and bi vacancies) induce a large structural deformation upon Li intercalation which restricts their use for anode application. However, the Stone-Wales defect filled BC3 monolayer shows high structural stability with a negative Li binding energy of -1.961 eV in comparison with -0.930 eV of its pristine form. It is also noticed that after adsorbing the Li atom, the semiconducting characteristics of both the pristine and Stone-Wales defect filled BC3 monolayers are transformed into metallic, electrically conductive states. More importantly, the Li alkali metal atom shows fast diffusion on the surfaces of both the pristine and the Stone-Wales defect filled BC3 monolayers with low energy barriers of 0.34 and 0.33 eV, respectively. Besides, both the pristine and Stone-Wales defect filled BC3 monolayers exhibit high theoretical specific capacities of 1144 and 1287 mAhg-1, which are much higher than that of a traditional graphite anode and stand among the highest values of anode materials detailed in literature. The Li alkali metal intercalated monolayers BC3 show small average open-circuit voltages of 0.485 and 0.465 V for pristine and Stone-Wales defect cases, respectively. On the basis of the aforementioned details, the present study suggests that the Stone-Wales type topological defect incorporated BC3 monolayer is a promising anode material for Li-ion based rechargeable batteries with high storage capacity, low Li diffusion energy barrier, and low average open-circuit voltage. © 2020 American Chemical Society.Item ZnWO4/SnO2@r-GO nanocomposite as an anode material for high capacity lithium ion battery(Elsevier Ltd, 2020) Brijesh, K.; Vinayraj, S.; Dhanush, P.C.; Bindu, K.; Nagaraja, H.S.Lithium ion battery (LIB) is widely used energy storage device. Herein, we report the preparation of ZnWO4/SnO2 nanocomposite and ZnWO4/SnO2@r-GO nanocomposite via solvothermal method. The structural, elemental and morphological properties of the prepared samples are characterized using x-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDAX), high-resolution transmission electron microscopy (HR-TEM), Brunauer-Emmett-Teller (BET) measurements, Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) techniques. The prepared samples are tested as an anode for LIB. The ZnWO4/SnO2 (5%) nanocomposite delivers initial discharge capacity of 882 mAh g?1 at a current density of 100 mA g?1, while, the specific capacity increases with the increase of SnO2 upto 10% tested in present case. Further, ZnWO4/SnO2@r-GO nanocomposite exhibits a discharge capacity of 1486 mAh g?1 which is higher than that of ZnWO4/SnO2 nanocomposite. In addition, after 500 cycles ZnWO4/SnO2@r-GO nanocomposite exhibits 89.8% cycle life and 98% of discharge capacity retention. These results indicate that, ZnWO4/SnO2@r-GO nanocomposite is a promising anode material for LIB. © 2020 Elsevier LtdItem Fabrication of AgWO4/CNT nanomaterial for high capacity lithium ion battery(Taylor and Francis Ltd., 2022) Brijesh, K.; Prajil, M.K.; Nagaraja, H.S.Herein, we report the synthesis of AgWO4 nanomaterial (AWN) and Single-walled carbon nanotube (SWCNT) wrapped AgWO4 nanomaterial (AWNC) via the solvothermal method and is used as an anode material for lithium-ion battery (LIB). The AWNC exhibits, 1202 mAh g?1 discharge capacity at 0.1 A g?1 current density with good cyclic stability and 100% columbic efficiency even after 500 cycles. The AWNC electrode shows a reversible capacity of 594, 521, 252, 143 and 84 mAh g?1 at 0.1, 0.2, 0.3, 0.5 and 1 A g?1 respectively. The 543 mAh g?1 reversible capacity recovered at 0.1 A g?1 after cycling at several current densities suggests the good rate performance of the AWNC electrode. The decent electrochemical performance of the AWNC is due to the synergetic effect between AgWO4 and SWCNT. AWNC shows improved rate capability, better cycling stability, reversible capacity and capacity retention than that of AWN. These results suggest that AWNC is an exciting anode material for LIB. © 2020 Informa UK Limited, trading as Taylor & Francis Group.Item Enhancing the electrochemical performance of ZnO anode by novel additive of MoS2–SnO2 nanocomposite for the zinc alkaline battery application(Springer, 2022) Prabukumar, C.; Meti, S.; Bhat K, U.K.ZnO nanorods and ZnO microrods are synthesized as the anode material for the Zn alkaline battery application. The present work studies the electrochemical performance of ZnO with regard to its size, morphology and MoS2–SnO2 nanocomposite as its additive towards the alkaline battery application. The properties, such as oxidation–reduction reaction, anti-corrosion behaviour, charge-transfer resistance and suppression of hydrogen evolution reaction (HER), are studied in detail. The structural characterization of ZnO samples is performed by using X-ray diffractometry. The morphological analysis of ZnO and MoS2–SnO2 nanocomposite is performed by using field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM), respectively. The atomic absorption spectroscopy (AAS) is employed to determine the solubility of ZnO samples in KOH solution. The electrochemical properties of the bare ZnO and the ZnO with MoS2–SnO2 additive (MoS2–SnO2/ZnO) samples are characterized by using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), cathodic polarization and Tafel polarization techniques. The ZnO with nanorod morphology shows better electrochemical performance than ZnO microrods and ZnO nanoparticles with sphere-like or plate-like morphology. The addition of MoS2–SnO2 nanocomposite with the ZnO improved the electrochemical activity, suppressed the HER activity and improved the anti-corrosion behaviour of the ZnO samples. © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.Item Mesoporous NiWO4@rGO nanoparticles as anode material for lithium-ion battery(Taylor and Francis Ltd., 2023) Brijesh, B.; Amudha, A.; Mukesh, M.P.; Sagar, L.; Moolayadukkam, S.; Nagaraja, H.S.Herein, we have tried to explore the charge storage properties of mesoporous NiWO4 as an anode in lithium-ion batteries (LIB). A one pot-solvothermal synthesis is used to tweak the properties of mesoporous NiWO4 nanoparticles with reduced graphene oxide (rGO) for the first time and explored the LIB anode applications. Materials are well characterised using structural and morphological characterisations to corroborate the relation between the electrochemical properties and the graphene addition. At 100 mA g−1, the NiWO4@rGO (NWZC) exhibits initial discharge capacity of 1439 mAh g−1, which is more than that of NiWO4 (NWZ). Both NWZ and NWZC display initial coloumbic efficiency of 91.65% and 62.1%. After 500 cycles, the coloumbic efficiency of the NWZ and NWZC is above 99%. The improved lithium-ion storage characteristics of the NWZC may be from the synergetic effect between NiWO4 and r-GO. © 2023 Informa UK Limited, trading as Taylor & Francis Group.Item Enhanced Electrochemical Performance of Low-Content Graphene Oxide in Porous Co3O4 Microsheets for Dual Applications of Lithium-Ion Battery Anode and Lithium-Ion Capacitor(Springer, 2024) Lakshmi Sagar, G.; Brijesh, K.; Mukesh, P.; Amudha, A.; Bhat, K.S.; Nagaraja, H.S.The enhancement of electrochemical performance in lithium-ion battery (LIB) anode materials through nanostructures is of paramount importance, facilitated by the synergistic integration of these unique architectures with active materials, which increases the availability of active sites and decreases the diffusion path for lithium ions. In this investigation, we successfully synthesized cobalt oxide (Co3O4) microsheets composed of small nanoparticles (measuring 28–33 nm), employing a straightforward hydrothermal process followed by annealing. Furthermore, to enhance the composite’s ability to endure volume changes and increase its electrical conductivity, we created a Co3O4/reduced graphene oxide (rGO) composite embedding a judicious amount of graphene oxide (GO). This engineered composite exhibited remarkable specific discharge capacity of 1081 mAh g−1 at 100 mA g−1, a substantial improvement over the pristine material’s capacity of 718 mAh g−1. The composite demonstrated reduced irreversible capacity loss relative to the pristine counterpart and approached a reversible capacity of nearly 99%. Even after 400 cycles under the demanding conditions of high current density of 500 mA g−1, the composite managed to retain 81% of its initial capacity, underscoring its exceptional cycling stability. Moreover, the application of the Co3O4/rGO//carbon black (CB) assembly in lithium-ion capacitors (LIC) yielded notable energy density of 15.6 Wh kg−1 at elevated power density of 1007 W kg−1. These LIC devices demonstrated robust cyclic stability across extended cycles, sustaining 56% of their initial capacity after 2000 cycles while operating at a current density of 2 A g−1. Graphical Abstract: [Figure not available: see fulltext.]. © 2024, The Minerals, Metals & Materials Society.Item Ge-doped 3D flower-like Cu2SnS3 structures for enhanced lithium-ion storage performance(Elsevier Ltd, 2025) Appu, S.; Anusha, B.R.; Udayabhanu; Muhiuddin, M.; Rahman, M.R.; Kalappa, K.Development of advanced anode materials with high capacity and stable cycling performance is crucial for next-generation lithium-ion batteries. In this work, we report Ge-doped three-dimensional flower-like Cu2SnS3 (Ge-CSS) microstructures synthesized via a solvothermal route. The introduction of Ge into the Cu?SnS? lattice effectively enhances electrical conductivity and lithium-ion transport, leading to superior electrochemical properties. The Ge-CSS electrode delivers a high initial discharge capacity of 796 mAh/g at 0.1 A/g with improved cycling stability, retaining 354 mAh/g after 100 cycles, and exhibits excellent rate capability, maintaining 74.09 % capacity as the current density increases from 0.1 to 2 A/g. Moreover, the reduced charge transfer resistance compared to undoped Cu2SnS3 highlights the beneficial role of Ge incorporation. These findings demonstrate the potential of Ge-CSS microstructures as a promising anode material for high-performance lithium-ion batteries. © 2025 Elsevier Ltd