Corrigendum to “Structural stability and electronic characteristics of cellulose nanowires on graphene-like systems” [Appl. Surf. Sci. 569 (2021) 150998]

Pereira, Aercio F.F. de F.; Souza, Emerson de; Ghosh, Angsula

doi:10.1016/j.apsusc.2021.151616

Cited by 1 publication

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“…In the present work, the Vienna Ab initio Simulation Package (VASP) is used for simulation, where the molecular dynamics (MD) method is computationally costly. Thus, to achieve the research objective and to reduce the cost of calculations, we consider the most favorable geometrical conformation in this study, as reported in previous works. − Results reveal that the most probable configurations for the molecules (CE, CH, and NA) adsorbed on Ag surfaces are the lying-down geometry with O atoms of molecules occupying mostly the atop site and hollow site on different Ag facets (Figure A–F). The distance between Ag atoms bonded to the adsorbed O atoms, N atom, H atom, and Al atom is small (2.0–2.7 Å) (Table ), implying the strong chemisorption between molecules and the Ag surfaces.…”

Section: Resultsmentioning

confidence: 99%

Functionalized Silver Nanocubes for the Detection of Hazardous Analytes through Surface-Enhanced Raman Scattering: Experimental and Computational Studies

Basavaraja,

Bantwal,

Tripathi

et al. 2023

ACS Sustainable Chem. Eng.

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The functionalization of nanomaterials offers a significant impact on environmental protection. Three silver composites, silver nanocubes (Ag NCs) with cellulose (Ag-CE), Ag NCs with chitosan (Ag-CH), and Ag NCs with neutral alumina (Ag-NA), were synthesized with the incorporation of a very low concentration of Ag NCs. The synthesized Ag-composites were used for the detection of hazardous analytes, 4-mercaptobenzoic acid (4-MBA), rhodamine 6G (R6G), and methylene blue (MB), via a highly sensitive surface-enhanced Raman scattering (SERS) technique. The enhancement factors for the detection of MB were found to be 1.2 × 106, 1.4 × 106, and 3.7 × 105 using Ag-CE, Ag-CH, and Ag-NA, respectively. Limits of detection of 1 nM, 100 pM, and 100 μM were achieved for MB using Ag-CE, Ag-CH, and Ag-NA, respectively. The Ag-CH composite achieved excellent sensitivity and enhancement for the detection of MB compared to the other two Ag-composites. The order of detection efficiency of MB using Ag-composites was measured theoretically and follows the order Ag-CH > Ag-CE > Ag-NA. A real-time filtration unit showed excellent efficiency for MB removal. The present method can be employed in commercial filtration processes for the benefit of the environment and sustainable development.

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Section: Resultsmentioning

confidence: 99%