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<p>In this work, we searched for the exclusive electronic and adsorptionproperties of Ag<sub>4</sub> cluster modified BSe based nanomaterialsfor the purpose of sensing glycine, hystidine and phenylalanine amino acids.Adsorption distances, band structures, difference in electron densities andinteraction energies were calculated to understand the impact of amino acidsadsorptions on the chemical reactivity of Ag cluster modified BSe nanostructures.Diverse configurations were inspected for the adsorption of amino acids to surveythe effective bio interface through the interaction with diverse sites existing onthe organic amino acid molecules. The interaction of all amino acids via O site wasfound to be critical for energetically favorable adsorption modes. The PDOS analysisalso revealed the large interactions of the amino acids with the Ag cluster modifiedBSe nanosheets. Our theoretical DFT results suggested thatAg<sub>4</sub> cluster modified BSe nanostructures held greatpotential for practical applications in biomolecular sensing of amino acids.</p>

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RETRACTED ARTICLE: DFT study of the adsorption behaviors of glycine, hystidine and phenylalanine amino acids on the novel Ag4 cluster modified BSe nanosheets: applications to bionanosensors

  • 期刊论文

  • 发表日期：

    2025年1月20日

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  • Farag M. A. Altalbawy,
  • Ali Fawzi Al-Hussainy,
  • Suhas Ballal,
  • Mekha Monsi,
  • Chakshu Walia,
  • G. V. Siva Prasad,
  • Masar Almuttairi,
  • Karar R. Al-Shami,
  • Marwa Akram Nafea,
  • Ahmed Mohsin Alsayah

摘要

In this work, we searched for the exclusive electronic and adsorptionproperties of Ag4 cluster modified BSe based nanomaterialsfor the purpose of sensing glycine, hystidine and phenylalanine amino acids.Adsorption distances, band structures, difference in electron densities andinteraction energies were calculated to understand the impact of amino acidsadsorptions on the chemical reactivity of Ag cluster modified BSe nanostructures.Diverse configurations were inspected for the adsorption of amino acids to surveythe effective bio interface through the interaction with diverse sites existing onthe organic amino acid molecules. The interaction of all amino acids via O site wasfound to be critical for energetically favorable adsorption modes. The PDOS analysisalso revealed the large interactions of the amino acids with the Ag cluster modifiedBSe nanosheets. Our theoretical DFT results suggested thatAg4 cluster modified BSe nanostructures held greatpotential for practical applications in biomolecular sensing of amino acids.