腐殖酸与典型碳纳米材料协同光致产生活性氧物种的研究

发布时间：2018-01-02 23:41

本文关键词：腐殖酸与典型碳纳米材料协同光致产生活性氧物种的研究　出处：《生态毒理学报》2016年05期 　论文类型：期刊论文

【摘要】：采用电子自旋共振光谱(EPR)技术,分析腐殖酸在光照下对4种典型碳纳米材料诱导产生单线态氧(~1O_2)和羟基自由基(·OH)的影响。基于密度泛函理论计算4种典型碳纳米材料的前线轨道能,比较了它们分别经能量转移诱导产生~1O_2的能力以及经电子传递诱导产生·OH的能力。结果显示,4种不同形状的碳纳米材料(富勒烯、单壁碳纳米管、多壁碳纳米管以及石墨烯)悬浮液在紫外光照下均无~1O_2和·OH产生。与腐殖酸共同存在下,4种碳纳米材料均显著诱导~1O_2的产生,且富勒烯和石墨烯还能光致生成·OH。协同产生~1_O2的能力大小为:单壁碳纳米管富勒烯多壁碳纳米管石墨烯,协同产生·OH的能力大小为:石墨烯富勒烯。~1O_2的产生能力与碳纳米材料的能隙大小和颗粒聚集程度有关,而诱导产生·OH的能力主要取决于化学硬度。总之,我们的研究表明腐殖酸与碳纳米颗粒可协同产生活性氧物种。
[Abstract]:Electron spin resonance spectroscopy (EPR) technique was used. Analysis of humic acid induced singlet oxygen 1 O _ 2 and hydroxyl radical (路OH) from four typical carbon nano-materials under light irradiation. Based on density functional theory (DFT), the frontier orbital energies of four typical carbon nanomaterials are calculated. The ability of energy transfer induced generation of 1 O 2 and the ability of electron transfer to produce 路OH were compared. The results showed that there were four kinds of carbon nanomaterials (fullerene) with different shapes. Single walled carbon nanotubes, multiwalled carbon nanotubes and graphene) suspensions did not produce 1O 2 and 路OH under ultraviolet light, and existed with humic acid. Four kinds of carbon nanomaterials significantly induced the generation of 1O _ 2. Moreover, fullerene and graphene can also produce 路OH. the ability of co-producing O _ 2 is: single-walled carbon nanotube fullerene multi-wall carbon nanotube graphene. The ability of co-producing 路OH is: the ability of graphene fullerene. 1 O _ 2 production is related to the size of energy gap and the degree of particle aggregation of carbon nanomaterials. But the ability to induce 路OH mainly depends on the chemical hardness. In a word, our research shows that humic acid and carbon nanoparticles can produce active oxygen species in synergy.
【作者单位】：工业生态与环境工程教育部重点实验室大连理工大学环境学院;
【基金】：国家自然科学基金(21477016) 中央高校基本科研业务费专项资金(DUT16LK13)
【分类号】：O636.9;O613.71;TB383.1
【正文快照】： 活性氧物种(ROS),如超氧阴离子(O-2·)、羟基自由基(·OH)和单线态氧(1O2)等,能够参与环境化学物质或生物大分子的化学转化,在环境与生命系统中发挥着重要作用[1-2]。而ROS被证明可以由一些具有独特光敏化活性的碳纳米材料,如富勒烯(C60)、碳纳米管(CNTs)以及石墨烯等诱导产生

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