School Of Basic And Applied Sciences

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    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 Kanta
    Unraveling 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.
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    Noble copper-silver-gold trimetallic nanobowls: An efficient catalyst
    (Academic Press, 2019) Haldar, Krishna Kanta; Tanwar, S; Biswas, R; Sen, T; Lahtinen, J.
    We demonstrated the design of tiny bowls of copper-silver-gold (Cu-Ag-Au) alloy type noble trimetallic nanocrystals with a unique shape. All the structural characterizations confirm the presence of copper (Cu), silver (Ag), and gold (Au) in the trimetallic nanobowls. Finally, we examined the catalytic efficiency of trimetallic Cu-Ag-Au nanobowls for reduction of 4-nitrophenol to 4-aminophenol and found that these nanobowls were 14, 23 and 43-fold more active than each of the constituent metals, Au, Cu and Ag, respectively. © 2019 Elsevier Inc.