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Amino-functionalized MIL-101(Cr) photodegradation enhancement by sulfur-enriched copper sulfide nanoparticles: an experimental and DFT study

Abdpour, Soheil, Kowsari, Elaheh, Bazri, Behrouz, Moghaddam, Mohammad Reza Alavi, Tafreshi, Saeedeh Sarabadani, de Leeuw, Nora H., Simon, Ilka, Schmolke, Laura, Dietrich, Dennis, Ramakrishna, Seeram and Janiak, Christoph 2020. Amino-functionalized MIL-101(Cr) photodegradation enhancement by sulfur-enriched copper sulfide nanoparticles: an experimental and DFT study. Journal of Molecular Liquids 319 , 114341. 10.1016/j.molliq.2020.114341
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In the present work, a direct Z-scheme composite photocatalyst, NH2-MIL-101(Cr)@CuS, with high photodegradation efficiency of Rhodamine B (RhB) degradation in the visible light spectrum, is fabricated through a solvothermal method. It was found that the NH2-MIL-101(Cr)@CuS composite with an appropriate amount of NH2-MIL-101(Cr) exhibited high catalytic performance in the RhB photodegradation. The photocurrent density and results from the electrochemical impedance spectroscopy (EIS) analysis confirm the promoted photocatalytic activity of the NH2-MIL-101(Cr)@CuS composite compared to the pristine MIL-101(Cr) and CuS nanoparticles, which were supported by the electron lifetime (τn) calculations for the samples. The trapping experiments and Mott-Schottky analysis revealed that the superoxide radicals (radical dotO2−) played an essential role in the photodegradation of RhB and the promoted photocatalytic activity contributed to a direct Z-scheme mechanism between CuS and NH2-MIL-101(Cr). Stability study also shows acceptable results during photocatalytic reaction. Furthermore, Density Functional Theory (DFT) calculations were performed to gain a better understanding of the electronic properties of the NH2-MIL-101(Cr)@CuS nanocomposite. The calculated band structures showed that the nanocomposite has a higher photocatalytic efficiency in the visible region compared to the pristine MIL-101(Cr) and CuS. The calculated band gap of both the semiconductors and the hybrid nanocomposite confirms the experimental results.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Publisher: Elsevier
ISSN: 0167-7322
Date of First Compliant Deposit: 14 October 2020
Date of Acceptance: 15 September 2020
Last Modified: 07 Dec 2020 18:12

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