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• W3204423654 endingPage "131620" @default.
• W3204423654 startingPage "131620" @default.
• W3204423654 abstract "• The novel heterogeneous catalyst was developed by modification of –COOH debris of GO. • Employed for the selective oxidation of benzyl alcohol. • This inferior performance of the catalyst might be due to lesser acidic sites on the catalyst. • Signifying the vital role of precursor and acidic sites on this catalyst. • The presence of -COOH debris on GO provides acid sites leading to higher catalytic proficiency. This study is aimed to elucidate the deep intuitive understanding of whether carboxyl groups of graphene oxide (GO) are worth modifying for the selective oxidation of benzyl alcohol (BzA) to benzaldehyde (BzH). In this work, for the first time, Cu-salen complex (Where Salen = N,N’-bis(4-hydroxysalicylaldehyde)ethylenediamine) was grafted on chloro- modified GO nanosheets forming a heterogeneous catalyst (Cu- f -GO). First principles-based density functional theory (DFT) has been performed to inspect structural and electronic properties, binding mechanism of SOCl 2 with each available functional group of GO. Besides, other parameters like HOMO, LUMO, energy bandgap (Eg), adsorption energy (E ad ), electronegativity (χ), chemical potential (μ), and global electrophilicity were also calculated. The catalytic results show that the as-prepared catalyst demonstrated petite performance. This poor performance might be due to lesser acidic sites available on the surface of the catalyst. Hence, it was decided to substantiate the hypothesis, we have conducted the catalytic reaction using a few drops of concentrated H 2 SO 4 as a precursor. The use of precursor had resulted in optimal activity with 100% conversion and 98.64% selectivity to BzH within 1 h." @default.
• W3204423654 created "2021-10-11" @default.
• W3204423654 creator A5049635699 @default.
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• W3204423654 creator A5077258695 @default.
• W3204423654 creator A5086274544 @default.
• W3204423654 date "2022-02-01" @default.
• W3204423654 modified "2023-10-11" @default.
• W3204423654 title "DFT assisted study on activation of surface acidic –COOH debris in graphene oxide supported catalyst for benzyl alcohol oxidation" @default.
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• W3204423654 cites W1976156302 @default.
• W3204423654 cites W1977258516 @default.
• W3204423654 cites W1978990221 @default.
• W3204423654 cites W1979761763 @default.
• W3204423654 cites W1980238233 @default.
• W3204423654 cites W1983089035 @default.
• W3204423654 cites W1990589060 @default.
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• W3204423654 cites W2007106886 @default.
• W3204423654 cites W2008708918 @default.
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• W3204423654 cites W2058122340 @default.
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• W3204423654 cites W2325490058 @default.
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• W3204423654 doi "https://doi.org/10.1016/j.molstruc.2021.131620" @default.
• W3204423654 hasPublicationYear "2022" @default.
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