Faculty Publications
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Item Mechanistic insights and DFT analysis of bimetal doped styrofoam-like LaFeO3 perovskites with in-built dual redox couples for enhanced Photo-Fenton degradation of Tetracycline(Elsevier B.V., 2024) James, A.; Naik, S.; Rodney, J.D.; Joshi, S.; Udayakumar, U.; Kim, B.C.; Udayashankar, N.K.The rising number of contaminants released into the environment and the inadequacies of traditional wastewater treatment techniques have led to the demand for enhanced oxidation technologies like photo-Fenton. In this study, bimetal co-doped lanthanum orthoferrite (BixLa1-xCuyFe1-yO3 (x = 0, 0.01, 0.05, 0.1; y = 0, 0.01, 0.05, 0.1, 0.15)) based photo-Fenton catalysts with the in-built redox couples Fe3+/Fe2+, Cu2+/Cu+ and oxygen vacancies have been successfully synthesised via a facile one-pot solution combustion route. Systematic studies show that the Bi0.05La0.95Cu0.1Fe0.9O3 (LFOBC) exhibits an optimal photo-Fenton degradation rate of 0.0497/min for Tetracycline (TC) removal, being ∼ 1.8 and ∼ 6.2 times greater than Bi0.05La0.95FeO3 (LFOB) and pristine LaFeO3 (LFO) respectively. DFT analysis confirmed the better adsorption and dissociation of H2O2 on a bimetal co-doped catalyst and identified the electron density difference in LFOBC, which can induce the H2O2 dissociation. A detailed investigation of various influencing reaction parameters is explored. The degradation pathway for the LFOBC catalyst with the toxicological characteristics of each intermediate is analysed. This study presents the Bi0.05La0.95Cu0.1Fe0.9O3 as a potential photocatalyst for enhanced photo-Fenton degradation with excellent efficiency observed for the degradation of various harmful pollutants for environmental remediation. © 2024 Elsevier B.V.Item Significance of transition metal (Co, Ni and Zn) doping on the nano MnSe for high-performance supercapacitor electrode(Elsevier Ltd, 2024) Mascarenhas, F.J.; Rodney, J.D.; Kim, B.C.; Badekai Ramachandra, B.R.The demand for electrode materials in supercapacitors necessitates designs with exceptional performance, superior structure, and environmental sustainability, all while remaining affordable and abundantly available. This study introduces an economical hydrothermal synthesis method for producing MxMn1-xSe (M=Co / Ni / Zn) nanomaterials at varying concentrations (x = 0.0, 0.01, 0.02, and 0.03). Diverse characterization methods confirm the successful formation of nanomaterials. Among the materials studied, Co0.01Mn0.99Se nanoclusters exhibit superior performance as electrode materials for supercapacitors, delivering a specific capacitance of 421 F/g at 5 mV/s and 377 F/g at 1 A/g in a 5 M KOH solution. A two-electrode symmetric configuration was established utilizing Co0.01Mn0.99Se as the active material in a 5 M KOH electrolyte, yielding a notable specific capacitance of 73 F/g at 0.5 A/g. The maximum energy density and power density achieved are 20.44 Wh/kg and 2838 W/kg respectively. This configuration demonstrates the exceptional electrochemical performance and energy storage capabilities of Co0.01Mn0.99Se in a two-electrode system. Impressively, the symmetric cell maintains a significant 70% capacitance retention even after 5000 charge-discharge cycles. Considering these findings, the developed Co0.01Mn0.99Se emerges as a pivotal advancement, providing a robust framework for the development of cutting-edge energy conversion and storage technologies. © 2024 Elsevier B.V.Item Growth of octahedral structured AgBiS2 single crystals and its insights on the high performance electrocatalytic hydrogen generation(Elsevier Ltd, 2024) Jauhar, R.O.M.; Ramachandran, K.; Deepapriya, S.; Joshi, S.; Ghfar, A.A.; Rao, L.; Badekai Ramachandra, B.R.; Udayashankar, N.K.; Vadivel, V.; Raji, R.; Kim, B.C.; Rodney, J.D.Given the enormous depletion of fossil fuels and growing environmental concerns, there is an immediate need to develop alternative and clean energy sources. Hydrogen (H2), recognized for its cleanliness and renewability, is poised to meet future energy requirements. Consequently, ongoing research is focused on the development of electro-active, durable, and cost-effective catalysts to replace expensive noble metal-based electrocatalysts. In this study, microscale AgBiS2 chalcogenide derived from a single crystal is reported as promising electrocatalysts for the Hydrogen Evolution Reaction (HER) with a remarkably low overpotential. The physico-chemical characterization of the AgBiS2 catalyst has been investigated using various analytical techniques. The synthesized AgBiS2 catalyst exhibits excellent HER activity, manifesting a low overpotential of 86 mV at a current density of 10 mA cm−2 and a Tafel slope of 44 mV dec−1, along with superior stability even after 24 h in HER at a very high current density. The developed AgBiS2 also showcased stable production when subjected to a two-electrode system. The enhanced alkaline HER activity of AgBiS2 can be attributed to its phase purity, high crystallinity, and the presence of high active sites. The observed high electrochemical performance and stability position AgBiS2 as a potential electrocatalyst for the hydrogen evolution reaction. This finding holds significant promise in the quest for efficient, durable, and economically viable catalysts to drive the shift towards clean and renewable energy sources. © 2024 Hydrogen Energy Publications LLCItem Elucidating mechanisms and DFT analysis of monometallic Vanadium incorporated nanoporous TiO2 as advanced material for enzyme-free electrochemical blood glucose biosensors with exceptional performance tailored for point-of-care applications(Elsevier Inc., 2024) Rao, L.; Rodney, J.D.; Naik, S.; Udayakumar, U.; Udayashankar, N.K.; Kim, B.C.; Badekai Ramachandra, B.R.Diabetes is a chronic condition that can last a lifetime and has claimed a great number of lives in recent years. This motivated scientists to design a glucose biosensor to monitor and control blood glucose levels in diabetic patients. Herein, hydrothermal derived Vanadium (V), Nickel (Ni), and Cobalt (Co)-doped TiO2 (MxTi1-xO2 (x = 0.01, 0.02, and 0.03)) was synthesized to achieve the best material to answer the pertaining problem. Of all the materials synthesized, V0.03Ti0.97O2@NF demonstrated the highest level of sensitivity, and selectivity, and has higher electrochemical cycling stability in 0.1 M KOH. It exhibits a very high sensitivity of 1129.31 μAmM-1cm-2 and Limits of Detection (LOD) and Limits of Quantification (LOQ) of 1.8 μM (S/N = 3) and 6.2 μM, respectively, with a broad linear range from 20 μM to 2 mM. The DFT approach was employed computationally to analyze the adsorption of glucose on surfaces of pure TiO2 and TiO2 doped with V, Ni, and Co respectively. The research findings highlight that when it comes to its interaction with glucose, pure TiO2 exhibits significantly less reactivity compared to transition metal-doped TiO2. Experimentally it shows that the V0.03Ti0.97O2@NF surface has the most sensitive glucose detection capability and it also exhibited significant selectivity towards glucose in the presence of additional interference. It demonstrated 100% retention after cycling stability and had a shelf life of ≃30 days. The V0.03Ti0.97O2@NF-based sensor exhibits accurate glucose sensing, even for human serum samples. © 2024 Elsevier B.V.Item Electrocatalytic synergies of melt-quenched Ni-Sn-Se-Te nanoalloy for direct seawater electrolysis(Elsevier B.V., 2024) Rodney, J.D.; Joshi, S.; Ray, S.; Rao, L.; Deepapriya, S.; Carva, K.; Badekai Ramachandra, B.R.; Udayashankar, N.K.; Perumal, S.; Sadhana, S.; Justin Raj, C.J.; Kim, B.C.The study focuses on the development of binary nanoalloys based on metal dichalcogenides (Sn30Se70, Ni30Te70) and quaternary nanoalloy (Ni15Sn15Se35Te35) using the melt quenching technique. The nanoalloys show extensive water splitting in fresh and real seawater. Sn30Se70-coated nickel foam achieved a benchmark current density of 349 mV for the oxygen evolution reaction (OER), while Ni15Sn15Se35Te35-coated nickel foam (NF) required only 185 mV for the hydrogen evolution reaction (HER) in 1 M KOH. The study also shows that a two-electrode system can achieve sustained total water splitting at higher current densities (1 A.cm?2). Modification with a CuSx layer over NF at the OER end facilitated faster kinetics and mitigated chlorine corrosion enabling direct seawater splitting at 1.26 V. Continuous direct splitting of seawater at 100 mA cm?2 for 120 h required only 1.88 V, showing an efficiency of 92.9 % for H2 production in real seawater. © 2024 Elsevier B.V.Item Sustained hydrogen production through alkaline water electrolysis using Bridgman–Stockbarger derived indium-impregnated copper chromium selenospinel(Elsevier Ltd, 2024) Jauhar, R.M.; Raji, R.; Deepapriya, S.; Raja, A.; Rao, L.; Joshi, S.; Era, P.; Badekai Ramachandra, B.R.; Udayashankar, N.K.; Vadivel, V.; Mangalaraja, R.V.; J, J.; Ghfar, A.A.; Senthilpandian, M.; Kim, B.C.; Rodney, J.D.The depletion of conventional fossil fuels necessitates the development of sustainable energy alternatives, with electrochemical water splitting for hydrogen (H2) production being a promising solution. However, large-scale hydrogen generation is hindered by the scarcity of cost-effective electrocatalysts to replace noble metals such as Pt and RuO2 in the Oxygen Evolution Reaction (OER) and Hydrogen Evolution Reaction (HER). In this study, we report the synthesis of CuCr2-xInxSe4 (x = 0, 0.2, 0.4) using a dual approach combining the Bridgman-Stockbarger method and ball milling. Among the synthesized materials, CuCr1.8In0.2Se4 demonstrates outstanding HER activity in 1.0 M KOH, achieving a potential of ?0.16 V vs. RHE at a current density of 10 mA cm?2. Moreover, the material shows remarkable durability during a three-electrode accelerated degradation test in an alkaline medium, maintaining its performance over 24 h at a constant current density of ?200 mA cm?2, with a stable potential of ?0.57 V vs. RHE. Additionally, CuCr1.8In0.2Se4 was tested in a two-electrode configuration alongside CoFe LDH, achieving a benchmark of 1.7 V for overall water splitting. It sustained a current density of 400 mA cm?2 for 24 h in an accelerated degradation test, exhibiting a minimal loss of 0.1 V after the testing period. These results highlight CuCr1.8In0.2Se4 as a promising non-noble metal catalyst for HER, demonstrating its potential to reduce reliance on noble materials for large-scale hydrogen production. © 2024 Hydrogen Energy Publications LLCItem Electrodeposited CoMnS/NiCo2S4 nanocomposite for high performance supercapacitors(Elsevier Ltd, 2024) Mascarenhas, F.J.; Rodney, J.D.; Rao, L.; Kim, B.C.; Badekai Ramachandra, B.R.In this work, we report a facile two-step electrodeposition method to fabricate a CoMnS/NiCo2S4/NF (CMS/NCS/NF) composite on nickel foam (NF) for application of supercapacitor electrode. The electrochemical performance of this composite material has been extensively investigated, revealing superior performance compared to individual CMS/NF and NCS/NF materials. The CMS/NCS/NF composite exhibits an exceptionally high specific capacity of 707 C/g at a current density of 1 A/g in a three-electrode system. Remarkably, the material retains 92 % of its specific capacitance after 5000 cycles, indicating excellent cyclic stability and durability. To further explore its practical applications, we constructed a two-electrode symmetric supercapacitor using the CMS/NCS/NF electrode. This symmetric cell demonstrates an outstanding energy density of 97.5 Wh/kg and a peak power density of 12 kW/kg, underscoring its potential for high-performance energy storage applications. These comprehensive studies indicate that the synthesized CMS/NCS/NF is a highly promising candidate for supercapacitor electrodes, offering both high capacity and long-term stability. This work paves the way for the development of efficient and durable energy storage devices. © 2024 Elsevier LtdItem Pd/C-decorated SnO2 for advanced non-enzymatic cholesterol biosensing: analytical application in clinical blood specimens(Elsevier Inc., 2025) Rao, L.; Rodney, J.D.; S, S.; Mascarenhas, F.J.; Nayak, M.P.; Kim, B.C.; Badekai Ramachandra, B.R.Cholesterol, a critical biomolecule, plays a vital role in physiological functions; however, elevated levels are associated with chronic conditions such as cardiovascular diseases, which remain a leading cause of mortality globally. To address this challenge, this study presents the synthesis of SnO2-Pd/C nanocomposite through a two-step process as a promising material for non-enzymatic cholesterol biosensing. Initially, SnO2 was synthesized via a hydrothermal method and subsequently decorated with Pd/C. The resulting SnO2-Pd/C nanocomposite was integrated with nickel foam (NF) as the active material for biosensor development. The biosensor demonstrated a remarkable sensitivity of 1560 µA mM?1 cm?2 for cholesterol detection, which is approximately three times higher than that of SnO2-NF (546 µA mM?1 cm?2). Key performance metrics included a Limit of Detection (LOD) of 28 µM and a Limit of Quantification (LOQ) of 34 µM in 0.1 M KOH solution, with a linear detection range extending from 200 µM to 2 mM. The SnO2-Pd/C-NF biosensor exhibited outstanding cyclic stability, retaining 97 % of its performance over 30 days, underscoring its potential for reliable and long-term applications. Furthermore, the sensor demonstrated robust and consistent sensing performance with human serum samples under standard conditions, highlighting its practical applicability in clinical diagnostics. © 2025 Elsevier B.V.Item Cu- and Bi-codoped LaFeO3-Decorated MXene Nanosheets for Photo-Fenton Catalysis and Hydrogen Evolution(American Chemical Society, 2025) James, A.; Ray, S.; Rodney, J.D.; Carva, K.; Udayashankar, N.K.; Kim, B.C.The increasing release of contaminants into the environment and the demand for sustainable energy solutions have prompted the exploration of advanced oxidation methods such as photo-Fenton and photoelectrochemical water splitting. Herein, hierarchical heterostructures of Cu- and Bi-codoped LaFeO3(Bi0.05La0.95Cu0.1Fe0.9O3) (LFOBC)-decorated Ti3C2(MXene) nanosheets were developed by a low-cost one-pot combustion approach. The optimized LFOBC/Mx-7 (Bi0.05La0.95Cu0.1Fe0.9O3/Ti3C2-7) composite demonstrated superior photo-Fenton degradation of tetracycline (TC), achieving 1.69 times higher efficiency than LFOBC and 10.65 times more efficiency than pristine LaFeO3(LFO). This enhanced performance is attributed to strong interfacial coupling, which suppressed photoexcited carrier recombination, as confirmed by PL, TRPL, EIS, and photocurrent studies. Experimental and theoretical work function analyses revealed band bending and the formation of an Ohmic junction at the interface. Furthermore, a degradation mechanism and a reaction pathway were proposed, and the reduction in toxicity levels was identified. The LFOBC/Mx-7 catalyst also exhibited promising results for H2evolution with an overpotential of 156 mV vs RHE under visible-light illumination, which was 2.37 times less than that of LFOBC. These results, therefore, showcase the LFOBC/Mx composite as a multifunctional photocatalyst for both pollutant degradation and sustainable energy generation. © 2025 American Chemical Society