Experimental and computational study of annealed nickel sulfide quantum dots for catalytic and antibacterial activity  

作　　者：Muhammad Ikram Sawaira Moeen Ali Haider Anwar Ul-Hamid Haya Alhummiany Hamoud H.Somaily Souraya Goumri-Said Mohammed Benali Kanoun 

机构地区：[1]Solar Cell Applications Research Lab,Department of Physics,Government College University Lahore,Lahore,54000,Punjab,Pakistan [2]Department of Clinical Sciences,Faculty of Veterinary and Animal Sciences,Muhammad Nawaz Shareef,University of Agriculture,66000,Multan,Punjab,Pakistan [3]Core Research Facilities,King Fahd University of Petroleum&Minerals,Dhahran,31261,Saudi Arabia [4]Department of Physics,Faculty of Science,University of Jeddah,P.O.Box 13151,Jeddah,21493,Saudi Arabia [5]Department of Physics,Faculty of Science,King Khalid University,P.O.Box 9004,Abha,Saudi Arabia [6]Physics Department,College of Science and General Studies,Alfaisal University,P.O.Box 50927,Riyadh,11533,Saudi Arabia [7]Department of Mathematics and Sciences,College of Humanities and Sciences,Prince Sultan University,P.O.Box 66833,Riyadh,11586,Saudi Arabia

出　　处：《Nano Materials Science》2024年第3期355-364,共10页纳米材料科学（英文版）

基　　金：The authors thank the Deanship of Scientific Research at King Khalid University for funding this work through a large group Research Project under grant number(R.G.P.2/123/44).The author MBK would like to thank Prince Sultan University for their support.

摘　　要：This research investigates the hydrothermal synthesis and annealing duration effects on nickel sulfide(NiS_(2) quantum dots(QDs)for catalytic decolorization of methylene blue(MB)dye and antimicrobial efficacy.QD size increased with longer annealing,reducing catalytic activity.UV–vis,XRD,TEM,and FTIR analyses probed optical structural,morphological,and vibrational features.XRD confirmed NiS2's anorthic structure,with crystallite size growing from 6.53 to 7.81 nm during extended annealing.UV–Vis exhibited a bathochromic shift,reflecting reduced band gap energy(Eg)in NiS_(2).TEM revealed NiS_(2)QD formation,with agglomerated QD average size increasing from 7.13 to 9.65 nm with prolonged annealing.Pure NiS_(2) showed significant MB decolorization(89.85%)in acidic conditions.Annealed NiS_(2) QDs demonstrated notable antibacterial activity,yielding a 6.15mm inhibition zone against Escherichia coli(E.coli)compared to Ciprofloxacin.First-principles computation supported a robust interaction between MB and NiS_(2),evidenced by obtained adsorption energies.This study highlights the nuanced relationship between annealing duration,structural changes,and functional properties in NiS_(2)QDs,emphasizing their potential applications in catalysis and antibacterial interventions.

关 键 词：NiS_(2) ANTIBACTERIAL quantum dots DYE degradation DFT 

分 类 号：O643.36[理学—物理化学] TB383.1[理学—化学]