Lanthanum-based metal-organic framework nanorods for removal of dye pollutants with machine language predictions

IF 4.9 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Journal of Physics and Chemistry of Solids Pub Date : 2025-04-01 Epub Date: 2025-01-21 DOI:10.1016/j.jpcs.2025.112580
Madappa C. Maridevaru , Aiswarya Konchery , Sanjhana Anandan , Vetriselvi Thirunavukarasu , Abdullah Al Souwaileh , Jerry J. Wu , Sambandam Anandan
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Abstract

According to the excellent redox and optical properties that may be tuned, lanthanum (La) is a material that is frequently employed in catalytic applications. In this instance, an exciting metal-organic framework made of lanthanum metal was produced using an effortless ultrasonic method using organic ligands like Benzene-1,3,5-tricarboxylic acid (BTC). UV–vis DRS, XPS, powder XRD, and FE-SEM are utilized to evaluate the La(1,3,5-BTC)(H2O)6 (La-BTC) metal-organic frameworks substance to show their optical absorption functions, chemical constitution, crystalline characteristics, and microscopic characteristics. Considering a band gap energy of 2.91 eV, La-BTC MOF has a shape resembling a nanorod and is capable of optical absorption in the range of the visible spectrum. During visible photon exposure with a light intensity of 80,600 lx, the photocatalytic decomposition of Methylene blue (MB) dye was conducted to test the photocatalytic effectiveness of La-BTC nanostructures. The La-BTC MOF resulted in the optimal degradation of the MB dye with an effective efficiency of 96.6 % within 180 min and corresponds to a pseudo-first-order mechanism exhibiting rate constants in the subsequent order: Photocatalysis (0.0196 min−1) > Adsorption (0.0027 min−1) > Photolysis (0.0003 min−1). Our findings show that the La-BTC MOF nanostructures' active sites are the primary factor influencing their capacity to remove dye preferentially. Besides emphasizing here, machine language's value in advancing experimental insights and validating photocatalytic performance.

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用机器语言预测去除染料污染物的镧基金属有机框架纳米棒
由于优异的氧化还原性能和可调谐的光学性能,镧(La)是一种经常用于催化应用的材料。在这种情况下,用有机配体如苯-1,3,5-三羧酸(BTC),用超声波法制备了由金属镧制成的令人兴奋的金属-有机框架。利用UV-vis DRS、XPS、粉末XRD和FE-SEM对La(1,3,5- btc)(H2O)6 (La- btc)金属有机骨架物质进行了表征,分析了其光学吸收功能、化学组成、晶体特征和微观特征。考虑到带隙能量为2.91 eV, La-BTC MOF具有类似纳米棒的形状,在可见光谱范围内具有光吸收能力。在80,600 lx光强的可见光子照射下,进行了亚甲基蓝(MB)染料的光催化分解实验,以测试La-BTC纳米结构的光催化效果。La-BTC MOF对MB染料的最佳降解效率为96.6%,降解时间为180 min,符合准一级降解机制,其速率常数依次为:光催化(0.0196 min−1)>;吸附(0.0027 min−1)>;光解(0.0003 min−1)。我们的研究结果表明,La-BTC MOF纳米结构的活性位点是影响其去除染料能力的主要因素。除了在这里强调,机器语言在推进实验见解和光催化性能验证方面的价值。
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来源期刊
Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids 工程技术-化学综合
CiteScore
7.80
自引率
2.50%
发文量
605
审稿时长
40 days
期刊介绍: The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.
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