温度对Fe-Co-Al@BTC MOF结构性质和抗菌性能的影响:分子对接和计算视角
Eman Abdelnasser1, Asmaa M Fahim2, Abdulrhman M Alaraj3,4
1Chemistry Department, Faculty of Science, Kafrelsheikh University, El-Geish Street, P.O. Box 33516, Kafrelsheikh, Egypt. eman_ahmed2014@sci.kfs.edu.eg.
Scientific reports
|December 2, 2025
概括
与水热方法相比,Fe-Co-Al@BTC金属有机框架的室温合成产生了优越的结晶性和抗菌活性. 这种方法在热力学上是有利的,为潜在的应用提供了增强的材料特性.
科学领域:
- 材料科学 材料科学 材料科学
- 纳米技术纳米技术
- 化学工程是化学工程的重要组成部分.
背景情况:
- 金属有机框架 (MOF) 是先进的多孔材料,具有多样化的应用.
- 控制合成条件对于定制MOF属性至关重要.
- 研究温度对MOF合成的影响对于优化性能至关重要.
研究的目的:
- 为了研究合成温度对Fe-Co-Al@BTC MOF特性的影响.
- 为了比较在室温和热水条件下合成的MOF的结构特征和抗菌功效.
- 评估合成的MOFs的电子和光催化潜力.
主要方法:
- 通过水热和室温方法合成Fe-Co-Al@BTC MOF.
- 结晶性,多孔性和形态学的表征.
- 使用光密度和切断插头方法评估抗菌活性.
- 通过光发光 (PL) 光谱测定光波段间隙.
- 密度函数理论 (DFT) 对电子和光催化性能的计算.
主要成果:
- 室温合成导致更高的结晶度,更大的颗粒大小,和不同的形态.
- 在室温MOF 600 mg/L时观察到增强的抗菌活性 (100%抑制).
- 光带间隙为2.48 eV (室温) 和2.25 eV (热水).
- DFT计算表明其稳定性和光催化应用的潜力.
- 热力学分析倾向于室温合成,因为它在能源上更有利.
结论:
- 合成温度显著影响Fe-Co-Al@BTC MOF结构和抗菌性能.
- 室温合成为生产具有增强性质的MOF提供了更有利和更有效的途径.
- 合成的MOF显示出对抗菌和光催化应用的前景.
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