首页> 外文期刊>Computational Materials Science >Theoretical study on electronic structure, and electrical conductance at room temperature of Cu2O-GS nanosensors and detection of H2S gas
【24h】

Theoretical study on electronic structure, and electrical conductance at room temperature of Cu2O-GS nanosensors and detection of H2S gas

机译:Cu2O-GS纳米传感器的电子结构,室温电导率和H2S气体检测的理论研究

获取原文
获取原文并翻译 | 示例
           

摘要

In this work, adsorption of Cu2O on a graphene which leads to production of Cu2O-GS nanosensor and H2S adsorption on it are computationally investigated. Adsorption energies, density of state (DOS) and room-temperature electrical conductance of Cu2O-GS are calculated. Then a comprehensive discussion on obtained results is presented. Results show that adsorption of Cu2O on GS leads to 2 separate configurations. DOS of both configurations is plotted and the difference between the configurations is explained. Next, adsorption energies of both configurations after H2S adsorption are investigated. DOS of Cu2O-GS with and without adsorbed H2S are compared and it is shown that, according to the considerable variation of DOS after adsorption, Cu2O-GS is an applicable nanosensor for H2S detection. Then electrical conductance at room temperature is calculated to investigate detection capability of this nanosensor. The results illustrate that electrical conductance of the nanosensor is significantly increased by H2S adsorption. Obtained results are in good agreement with reported experimental results. (C) 2014 Elsevier B.V. All rights reserved.
机译:在这项工作中,通过计算研究了Cu2O在石墨烯上的吸附,从而导致产生了Cu2O-GS纳米传感器和H2S的吸附。计算了Cu2O-GS的吸附能,态密度(DOS)和室温电导率。然后对获得的结果进行了全面的讨论。结果表明,Cu2O在GS上的吸附导致2个独立的构型。绘制了两种配置的DOS,并说明了两种配置之间的差异。接下来,研究了H2S吸附后两种构型的吸附能。比较了有和没有吸附H2S的Cu2O-GS的DOS,结果表明,根据吸附后DOS的巨大变化,Cu2O-GS是适用于H2S检测的纳米传感器。然后计算室温下的电导率以研究该纳米传感器的检测能力。结果表明,通过H2S吸附,纳米传感器的电导率显着提高。获得的结果与报道的实验结果高度吻合。 (C)2014 Elsevier B.V.保留所有权利。

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