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Abstract <p>Barium-doped MXene (Ba@MX) nanosheets were synthesized via a solvothermal method. In that order, their structural, functional, optical, morphological, and elemental properties are studied using various techniques. Barium has a large ionic radius, which induces a shift and widens the characteristic XRD peak (002), resulting in structural defects and increased dislocations in MXene nanosheets (NSs). This is evidenced by an increase in Urbach energy and a reduction in bandgap (from 2.06 to 1.91&#xa0;eV). The Ba@MX increases the defect densities, which behave as active sites to trap the charge carriers, suppress the probability of electron–hole pair recombination, and promote the generation of a large number of reactive oxygen species (ROS), reducing degradation time by half compared to pristine MXene. Subsequently, we discuss the mechanism and kinetics of dye adsorption and degradation. This study highlights Ba@MX as a promising photocatalyst for wastewater treatment, offering a sustainable strategy for environmental remediation.</p> Graphical abstract <p></p>

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Structural defects and Urbach energy modulation in Ba-doped MXene for enhanced photocatalytic MB dye degradation in visible light

  • 期刊论文

  • 发表日期：

    2026年4月24日

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  • Nivedita Singh,
  • K. Sathiyamoorthy,
  • M. Navaneethan,
  • A. Karthigeyan

摘要

Abstract

Barium-doped MXene (Ba@MX) nanosheets were synthesized via a solvothermal method. In that order, their structural, functional, optical, morphological, and elemental properties are studied using various techniques. Barium has a large ionic radius, which induces a shift and widens the characteristic XRD peak (002), resulting in structural defects and increased dislocations in MXene nanosheets (NSs). This is evidenced by an increase in Urbach energy and a reduction in bandgap (from 2.06 to 1.91 eV). The Ba@MX increases the defect densities, which behave as active sites to trap the charge carriers, suppress the probability of electron–hole pair recombination, and promote the generation of a large number of reactive oxygen species (ROS), reducing degradation time by half compared to pristine MXene. Subsequently, we discuss the mechanism and kinetics of dye adsorption and degradation. This study highlights Ba@MX as a promising photocatalyst for wastewater treatment, offering a sustainable strategy for environmental remediation.

Graphical abstract