Autor según el artículo: Rehman, Ata Ur; Ikram, Muhammad; Haider, Ali; Raza, Muhammad Asif; Shujah, Tahira; Naz, Misbah; Ul-Hamid, Anwar; Shahzadi, Iram; Goumri-Said, Souraya; Kanoun, Mohammed Benali; Nabgan, Walid;
Departamento: Enginyeria Química
Autor/es de la URV: Nabgan, Walid
Palabras clave: Thin-films Nanocrystalline cds Enhanced photocatalytic activity
Resumen: In this study, cadmium sulfide (CdS) quantum dots (QDs) and barium (Ba) (3 and 6 wt %)-doped CdS QDs were synthesized via a hydrothermal technique. The basic purpose of this work is to degrade methylene blue (MB) dye and evaluate density functional theory (DFT). The synthesized samples were characterized through X-ray powder diffraction (XRD), selected area electron diffraction (SAED), Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), high-resolution transmission electron microscopy (HR-TEM), UV-vis spectrophotometer, PL, and density functional theory (DFT). The XRD (structural analysis) confirmed that the hexagonal crystal structure and crystallinity increased upon doping. Selected area electron diffraction (SAED) analysis confirmed the polycrystalline nature of the prepared QDs. The functional groups have been investigated using FTIR analysis. The surface and structural morphologies of the synthesized specimen have been investigated by applying TEM and FE-SEM, and it was found to exhibit the topology of QDs. In addition, optical characteristics have been investigated via UV-vis absorption spectroscopy, which exhibited a bathochromic shift (red shift) as a consequence of the reduction of the band-gap energy upon doping from 2.56 to 2.38 eV. PL analysis was used to observe the electron-hole recombination rate. Moreover, the electronic and optical properties of Ba-doped CdS were further explored using density functional theory. Pristine and Ba-doped QDs exhibit sufficient catalytic activity (CA) against the MB dye in all media as 62.59, 70.15, and 72.74% in neutral, basic, and acidic solutions, respectively.
Áreas temáticas: Química Interdisciplinar General chemistry General chemical engineering Engenharias ii Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemical engineering (miscellaneous) Chemical engineering (all)
Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
Direcció de correo del autor: walid.nabgan@urv.cat
Identificador del autor: 0000-0001-9901-862X
Fecha de alta del registro: 2024-09-07
Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
Enlace a la fuente original: https://pubs.acs.org/doi/10.1021/acsomega.2c04862
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Acs Omega. 7 (50): 46325-46336
Referencia de l'ítem segons les normes APA: Rehman, Ata Ur; Ikram, Muhammad; Haider, Ali; Raza, Muhammad Asif; Shujah, Tahira; Naz, Misbah; Ul-Hamid, Anwar; Shahzadi, Iram; Goumri-Said, Souraya; (2022). Facile Synthesis of Barium-Doped Cadmium Sulfide Quantum Dots for the Treatment of Polluted Water: Experimental and Computational Investigations. Acs Omega, 7(50), 46325-46336. DOI: 10.1021/acsomega.2c04862
DOI del artículo: 10.1021/acsomega.2c04862
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2022
Tipo de publicación: Journal Publications