School Of Basic And Applied Sciences
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Item Unraveling the Role of Orbital Interaction in the Electrochemical HER of the Trimetallic AgAuCu Nanobowl Catalyst(American Chemical Society, 2023-03-24T00:00:00) Biswas, Rathindranath; Dastider, Saptarshi Ghosh; Ahmed, Imtiaz; Barua, Sourabh; Mondal, Krishnakanta; Haldar, Krishna KantaUnraveling the origins of the electrocatalytic activity of composite nanomaterials is crucial but inherently challenging. Here, we present a comprehensive investigation of the influence of different orbitals� interaction in the AuAgCu nanobowl model electrocatalyst during the hydrogen evolution reaction (HER). According to our theoretical study, AgAuCu exhibits a lower energy barrier than AgAu and AgCu bimetallic systems for the HER, suggesting that the trimetallic AgAuCu system interacts optimally with H*, resulting in the most efficient HER catalyst. As we delve deeper into the HER activity of AgAuCu, it was observed that the presence of Cu allows Au to adsorb the H* intermediate through the hybridization of s orbitals of hydrogen and s, dx2-y2, and dz2 orbitals of Au. Such orbital interaction was not present in the cases of AgAu and AgCu bimetallic systems, and as a result, these bimetallic systems exhibit lower HER activities. � 2023 American Chemical Society.Item Bifunctional electrochemical OER and HER activity of Ta2O5 nanoparticles over Fe2O3 nanoparticles(Royal Society of Chemistry, 2023-08-23T00:00:00) Ahmed, Imtiaz; Burman, Vishal; Biswas, Rathindranath; Roy, Ayan; Sharma, Rohit; Haldar, Krishna KantaHydrogen production via electrocatalytic water splitting offers encouraging innovations for sustainable and clean energy production as an alternative to conventional energy sources. The improvement of extraordinarily dynamic electrocatalysts is of great interest for work on the performance of gas generation, which is firmly blocked due to the sluggish kinetics of the oxygen evolution reaction (OER). The development of highly efficient base metal catalysts for electrochemical hydrogen and oxygen evolution reactions (HER and OER) is a challenging and promising task. In the present work, a particle over particles of Fe2O3 and Ta2O5 was successfully produced by hydrothermal treatment. The prepared composite shows promising catalytic performance when used as an electrochemical catalyst for OER and HER in alkaline and acidic electrolytes with low overpotentials of 231 and 201 mV at 10 mV cm?2, small Tafel slopes of 71 and 135 mV dec?1, respectively, and good stability properties. The calculated electrochemical surface area (ECSA) for composites is five times higher than that of the original oxides. The result of the OER is significantly better than that of commercial IrO2 catalysts and offers a promising direction for the development of water-splitting catalysts. � 2023 The Royal Society of Chemistry.Item Green synthesis of hybrid papain/Ni3(PO4)2 rods electrocatalyst for enhanced oxygen evolution reaction(Royal Society of Chemistry, 2022-10-21T00:00:00) Ahmed, Imtiaz; Biswas, Rathindranath; Singh, Harjinder; Patil, Ranjit A.; Varshney, Rohit; Patra, Debabrata; Ma, Yuan-Ron; Haldar, Krishna KantaHydrogen production using electrocatalytic water splitting provides encouraging innovations for enduring and clean energy generation as an option in contrast to traditional energy sources. Improvement in exceptionally dynamic electrocatalysts is of tremendous interest for work on the proficiency of gas generation, which has been emphatically blocked because of the sluggish kinetics of the oxygen evolution reaction (OER). We have synthesized a noble rod-shaped papain/Ni3(PO4)2 catalyst, which was further explored for electrocatalytic OER activity. An environmentally benign approach was applied to prepare binary papain/Ni3(PO4)2 in the presence of papain obtained from green papaya fruit. The yield of Ni3(PO4)2 rod structures could be controlled by varying the amount of papain extract during reaction conditions. The morphology and structural properties of the biogenic papain/Ni3(PO4)2 electrocatalyst were investigated with various microscopic and spectroscopic techniques, for example, FE-SEM, XRD, XPS, and FTIR. To show how such a papain/Ni3(PO4)2 hybrid structure could deliver more remarkable electrocatalytic OER activity, we inspected the correlation between catalytic demonstrations of the papain/Ni3(PO4)2 catalyst and its constituents, and the role of papain on its own was studied during the OER process. A biosynthesised papain/Ni3(PO4)2 catalyst exhibits excellent electrochemical OER performance with the smallest overpotentials of 217 mV, 319 mV and 431 mV in alkaline, neutral and acidic conditions, respectively, at 10 mA cm?2 current density. Transport of ions and electrons is also assisted by the long peptide backbone present in papain, which plays an important role in boosting OER activity. Our results reveal that papain/Ni3(PO4)2 shows better electrocatalytic OER execution along with cyclic stability compared to its different counterparts, owing to synergism-assisted enhancement by several amino acids from papain with metal ions in Ni3(PO4)2 � 2022 The Royal Society of Chemistry.