Search Results - "Wakjira, Tadesse Lemma"
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Investigating the effects of solvent polarity and temperature on the molecular, photophysical, and thermodynamic properties of sinapic acid using DFT and TDDFT
Published in RSC advances (19-07-2024)“…Sinapic acid (SA) is widely used in cosmetics, foods, and pharmaceuticals due to its antioxidant, anti-inflammatory, neuroprotective, antimicrobial,…”
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Effect of tin doping and tin-bromine co-doping on electronic and optical properties of BiOCl crystal: density functional theory
Published in Materials research express (01-06-2024)“…Bismuth oxychloride (BiOCl) is a layered compound known for its exceptional physical, chemical, and optical characteristics, along with notable photocatalytic…”
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Bismuth-Based Z‑Scheme Heterojunction Photocatalysts for Remediation of Contaminated Water
Published in ACS omega (27-02-2024)“…Agricultural runoff, fuel spillages, urbanization, hospitalization, and industrialization are some of the serious problems currently facing the world. In…”
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Electronic, optical, phonon, and thermodynamic properties of bismuth oxyhalides for photocatalysis application using density functional theory
Published in Discover materials (10-10-2024)“…Bismuth oxyhalide (BiOX) represents a class of layered materials distinguished by unique physicochemical and optical characteristics. This study delivers an…”
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Effects of temperature and solvent polarity on the thermodynamic and photophysical properties of ferulic acid using density functional theory (DFT)
Published in Journal of molecular liquids (01-08-2024)“…Ferulic acid (FA) possesses diverse biological properties and is extensively utilized in pharmaceuticals, cosmetics, and the food industry due to its non-toxic…”
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