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<p>This study introduces a novel green synthesis of Sr-doped LaFe<sub>₀.₇</sub>Ni<sub>₀.₃</sub>O<sub>₃</sub> perovskite photocatalysts using decocted aqueous extract of <i>Spirulina platensis</i> from Tamanrasset, Algeria. The extract, rich in phenolics and flavonoids, acts as a natural reducing and stabilizing agent, enabling eco-friendly perovskite formation without toxic reagents. La<sub>₁₋ₓ</sub>Sr<sub>ₓ</sub>Fe<sub>₀.₇</sub>Ni<sub>₀.₃</sub>O<sub>₃</sub> compositions (x = 0.0, 0.1, 0.2) were synthesized and characterized. The optical band gap decreased from 2.78&#xa0;eV for the undoped sample to 2.50&#xa0;eV for the Sr-doped compositions, surface area of 19.87&#xa0;m²/g, and high crystallinity. It achieved 98.6% degradation of methylene blue under visible light in 90&#xa0;min, outperforming the undoped sample (82.3% in 120&#xa0;min). Density Functional Theory (DFT) calculations confirmed that Sr doping enhances electronic properties, oxygen vacancies, and adsorption energy. To the best of our knowledge, limited studies have investigated the combination of Spirulina-mediated green synthesis and DFT modeling for Sr-doped LaFe<sub>₀.₇</sub>Ni<sub>₀.₃</sub>O<sub>₃</sub> perovskites, offering a sustainable and efficient approach for solar-driven water purification.</p>

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DFT-guided experimental investigation of green synthesized La₁₋ₓSrₓFe₀.₇Ni₀.₃O₃ perovskites via Spirulina extract for enhanced photocatalytic activity

  • 期刊论文

  • 发表日期：

    2026年6月18日

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  • Manel Melouli,
  • Omar Ben Mya,
  • Mohammed Lakhder Belfar,
  • Abdelkader Benmenine,
  • Mohammed Saleh,
  • Nadir Dizge

摘要

This study introduces a novel green synthesis of Sr-doped LaFe₀.₇Ni₀.₃O₃ perovskite photocatalysts using decocted aqueous extract of Spirulina platensis from Tamanrasset, Algeria. The extract, rich in phenolics and flavonoids, acts as a natural reducing and stabilizing agent, enabling eco-friendly perovskite formation without toxic reagents. La₁₋ₓSrₓFe₀.₇Ni₀.₃O₃ compositions (x = 0.0, 0.1, 0.2) were synthesized and characterized. The optical band gap decreased from 2.78 eV for the undoped sample to 2.50 eV for the Sr-doped compositions, surface area of 19.87 m²/g, and high crystallinity. It achieved 98.6% degradation of methylene blue under visible light in 90 min, outperforming the undoped sample (82.3% in 120 min). Density Functional Theory (DFT) calculations confirmed that Sr doping enhances electronic properties, oxygen vacancies, and adsorption energy. To the best of our knowledge, limited studies have investigated the combination of Spirulina-mediated green synthesis and DFT modeling for Sr-doped LaFe₀.₇Ni₀.₃O₃ perovskites, offering a sustainable and efficient approach for solar-driven water purification.