Scholarlink

<p>This study examines the electrochemical behavior of endosulfan on a glassy carbon electrode (GCE) and offers an extensive computational analysis of its electronic properties and interaction with graphene surfaces. The poor electrochemical activity of endosulfan at the bare GCE was evidenced by CV experiments, necessitating further exploration into the catalytic contributions of the electrode. Computational studies showed the localization of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) on the dichloroethene group, which means that this region is involved mainly in oxidation and reduction processes. Further analysis using the Fukui function supported the identification of reactive sites and electron transfer properties, indicating significant electron-accepting behavior by the molecule. Comparative studies on the interaction of endosulfan with basal and terminal carbon atoms of graphene showed subtle binding energy variations, which establish the importance of structural and electronic properties in sensor design. The combination of electrochemical and computational analyses gives a platform for developing more advanced, selective sensors toward the detection of persistent organic pollutants like endosulfan.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Electrocatalytic Redox Behavior of Endosulfan on Carbon-Based Sensors: An Experimental and Theoretical Study

  • 期刊论文

  • 发表日期：

    2025年4月17日

查看全文
  • Kruthika Manohara Sakamma,
  • Gururaj Kudur Jayaprakash,
  • Praveen Naik,
  • Kaustubha Mohanty

摘要

This study examines the electrochemical behavior of endosulfan on a glassy carbon electrode (GCE) and offers an extensive computational analysis of its electronic properties and interaction with graphene surfaces. The poor electrochemical activity of endosulfan at the bare GCE was evidenced by CV experiments, necessitating further exploration into the catalytic contributions of the electrode. Computational studies showed the localization of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) on the dichloroethene group, which means that this region is involved mainly in oxidation and reduction processes. Further analysis using the Fukui function supported the identification of reactive sites and electron transfer properties, indicating significant electron-accepting behavior by the molecule. Comparative studies on the interaction of endosulfan with basal and terminal carbon atoms of graphene showed subtle binding energy variations, which establish the importance of structural and electronic properties in sensor design. The combination of electrochemical and computational analyses gives a platform for developing more advanced, selective sensors toward the detection of persistent organic pollutants like endosulfan.