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DFT investigation of dye adsorption on pristine and doped graphdiyne: toward efficient removal of disperse yellow 3 from wastewater

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The persistence of industrial dyes such as Disperse Yellow 3 (DY3) dye in wastewater remains an environmental concern due to their chemical stability and toxicity. Graphdiyne (GDY), a two-dimensional (2D) carbon-based material, offers a promising platform for ... ...