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为光催化和光学限制应用设计的N-S编TiO₂纳米粒子:实验和DFT见解

Manikandan Kandasamy¹, Amreetha Seetharaman², Seetha Lakshmy³

¹Department of Physics, Karpagam Academy of Higher Education, Coimbatore 641021, Tamil Nadu, India; Centre for Computational Physics, Karpagam Academy of Higher Education, Coimbatore 641021, Tamil Nadu, India.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

|January 18, 2024

概括

硫二氧化物纳米颗粒具有增强的光催化活性和室温铁磁性. 这种兴奋剂策略改善了可见光吸收和非线性光学特性,用于先进的应用.

科学领域:

材料科学材料科学材料科学
纳米技术纳米技术
光催化作用的光催化
这就是Spintronics.

背景情况:

二氧化 (TiO2) 是一个被广泛研究的半导体,在光催化和光学中具有应用.
提高TiO2的可见光吸收率和引入铁磁性等新功能仍然是关键的研究挑战.
与 (N) 和硫 (S) 等非金属合TiO2是一种有希望的策略,可以修改其电子和光学特性.

研究的目的:

为了合成和表征-硫 (N-S) 配合的TiO2纳米粒子 (NP).
研究N-S配合对TiO2.2的结构,光学,磁性和光催化性能的影响.
探索N-S合TiO2在光催化和光学限制中的潜在应用.

主要方法:

使用硫酸进行N-S编TiO2NP的Sol-gel和水热合成.
使用X射线衍射 (XRD),里埃变换红外光谱 (FTIR),电子磁共振 (EPR),UV-Vis,光发光 (PL) 和振动样本磁力学 (VSM) 的表征.
在可见光下使用Rhodamine B (RhB),甲蓝 (MB) 和刚果红 (CR) 染料进行光催化降解实验.
密度函数理论 (DFT) 计算,以了解电子结构的修改.

主要成果:

N-S 编码转移了 TiO2 的相向纯解剖酶,并引入了 N-H 振动和 S-O 复合.
EPR和PL证实在N-S杂的TiO2.2中产生了氧缺陷 (Ti3+信号).
与N-S合的TiO2在室温下表现出铁磁性行为,这归因于氧气空缺.
与原始TiO2.2相比,在可见光下显著增强有机染料的光催化降解.
改善了两光子吸收 (TPA) 特性,表明了光学限制应用的潜力.

结论:

N-S编码有效地改变了TiO2的电子带结构,提高了可见光吸收和光催化效率.
在N-S杂的TiO2中存在氧气空缺的存在,对于其铁磁性质和光学限制性行为至关重要.
N-S 密封的 TiO2 纳米颗粒对环境修复和先进光学设备的应用非常有前途.

关键词:

在EPR中使用EPR.这是一个光学限制器.有一个空缺的氧气.光催化作用的光催化在室温下,铁磁力学.TiO(2) 的使用情况.

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