• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Nanotechnology >Silicon-doped carbon nanotubes: a potential resource for the detection of chlorophenols/chlorophenoxy radicals
【24h】

Silicon-doped carbon nanotubes: a potential resource for the detection of chlorophenols/chlorophenoxy radicals

机译：硅掺杂的碳纳米管：用于检测氯酚/氯苯氧基的潜在资源

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Chlorinated phenols and chlorophenoxy radicals are known as predominant precursors for forming polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/PCDF), which are highly carcinogenic and persistent organic pollutants (POPs). Density functional theory (DFT) calculations have been carried out to explore the potential possibility of carbon nanotubes (CNTs) serving as the resource for detecting and/or adsorbing these PCDD/PCDF precursors. Based on the calculated results on a pristine (8, 0) CNT and a Si-doped (8, 0)CNT with and without the presence of a 2-chlorophenol (2-CP)/2-chlorophenoxy radical (2-CPR), the typical representative of chlorophenols/chlorophenoxy radicals, we propose that pristine carbon nanotubes (CNTs) may be unsuitable for the desired applications due to their poor capability for catching chlorinated phenols/chlorophenoxy radicals, on the other hand, Si-doped CNTs are expected to be a potential resource for detecting and/or adsorbing (concentrating) these PCDD/PCDF precursors. The present results provide a guide to the relevant experimentalists, who are exploring novel applications of CNT-based materials in nanoscience and nanotechnology, and/or searching for suitable resources for detecting chlorophenols/chlorophenoxy radicals.
机译：众所周知，氯化苯酚和氯苯氧基是形成多氯二苯并对二恶英和二苯并呋喃（PCDD / PCDF）的主要前体，它们是高度致癌和持久性有机污染物（POPs）。已经进行了密度泛函理论（DFT）计算，以探索碳纳米管（CNT）作为检测和/或吸附这些PCDD / PCDF前体的资源的潜在可能性。基于原始（8，0）CNT和掺有和不存在2-氯酚（2-CP）/ 2-氯苯氧基（2-CPR）的Si掺杂（8，0）CNT的计算结果作为氯酚/氯苯氧基自由基的典型代表，我们认为原始碳纳米管（CNT）可能由于捕获氯酚/氯苯氧基自由基的能力较弱而不适用于所需的应用，另一方面，预计掺Si的CNTs成为检测和/或吸附（浓缩）这些PCDD / PCDF前体的潜在资源。本结果为相关实验人员提供了指南，他们正在探索基于CNT的材料在纳米科学和纳米技术中的新应用，和/或寻找合适的资源来检测氯酚/氯苯氧基。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号