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<p>In this work, boron-doped two-dimensional Bi<sub>2</sub>MoO<sub>6</sub> nanosheets (<i>x</i>% B-Bi<sub>2</sub>MoO<sub>6</sub>, <i>x</i> = 0, 1, 3, 5, 10) were synthesized via urea-assisted precipitation. The orthorhombic crystal structure was not affected by boron doping (substitution of Mo<sup>6+</sup> by B<sup>3+</sup>), according to characterization. However, it did cause lattice contraction and greatly increased surface negativity (the zeta potential of 5% B-Bi<sub>2</sub>MoO<sub>6</sub> reached − 63&#xa0;mV). The 5% B-Bi<sub>2</sub>MoO<sub>6</sub> nanosheets (a thickness of 20.3&#xa0;nm) showed adsorption efficiency &lt; 20% for anionic and neutral dyes, but excellent selective adsorption toward cationic dyes (RhB, MB) with an adsorption efficiency &gt; 99%. According to the Freundlich model, the RhB adsorption capacity (27.55&#xa0;mg/g) was 2.9 times that of pure Bi<sub>2</sub>MoO<sub>6</sub>, suggesting electrostatic-dominated multilayer adsorption. Furthermore, under visible-light irradiation, 5% B-Bi<sub>2</sub>MoO<sub>6</sub> exhibited 98.5% RhB degradation efficiency in 60&#xa0;min (1.2 times that of the pure phase), with <i>h</i><sup>+</sup> and (∙OH) identified as significant reactive species. Subsequently, first-principles calculations were employed to analyze the density of states, charge density difference, and molecular dynamics of Bi<sub>2</sub>MoO<sub>6</sub> at different doping concentrations. The calculation results further confirmed the experimental findings. Despite several cyclic tests, the material remained stable. This work presents a novel approach for the effective treatment of wastewater containing dyes by introducing a synergistic process of selective adsorption-photocatalysis.</p>

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Investigation on adsorption–photocatalytic activity and electronic structure of boron-doped Bi2MoO6

  • 期刊论文

  • 发表日期：

    2026年5月24日

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  • Yuyu Meng,
  • Hong Wang,
  • Qiannan Li,
  • Zhaoyang Sun,
  • Yingtao Zhu,
  • Yuanye Wang,
  • Yuntian Wang,
  • Heng Zhang,
  • Yujie Pu,
  • Jiyun Tang,
  • Yanqing Li,
  • Lili Zhi

摘要

In this work, boron-doped two-dimensional Bi2MoO6 nanosheets (x% B-Bi2MoO6, x = 0, 1, 3, 5, 10) were synthesized via urea-assisted precipitation. The orthorhombic crystal structure was not affected by boron doping (substitution of Mo6+ by B3+), according to characterization. However, it did cause lattice contraction and greatly increased surface negativity (the zeta potential of 5% B-Bi2MoO6 reached − 63 mV). The 5% B-Bi2MoO6 nanosheets (a thickness of 20.3 nm) showed adsorption efficiency < 20% for anionic and neutral dyes, but excellent selective adsorption toward cationic dyes (RhB, MB) with an adsorption efficiency > 99%. According to the Freundlich model, the RhB adsorption capacity (27.55 mg/g) was 2.9 times that of pure Bi2MoO6, suggesting electrostatic-dominated multilayer adsorption. Furthermore, under visible-light irradiation, 5% B-Bi2MoO6 exhibited 98.5% RhB degradation efficiency in 60 min (1.2 times that of the pure phase), with h+ and (∙OH) identified as significant reactive species. Subsequently, first-principles calculations were employed to analyze the density of states, charge density difference, and molecular dynamics of Bi2MoO6 at different doping concentrations. The calculation results further confirmed the experimental findings. Despite several cyclic tests, the material remained stable. This work presents a novel approach for the effective treatment of wastewater containing dyes by introducing a synergistic process of selective adsorption-photocatalysis.