Electrical and optical properties of NO and H2S adsorption on Arsenic Phosphorus

2017 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE) Pub Date : 2017-04-01 DOI:10.1109/EUROSIME.2017.7926283

Yingying Zhang, K. Zheng, Xianping Chen, Guoqi Zhang, Lian Liu, Chun-Jian Tan, Qun Yang, Junke Jiang, H. Ye

{"title":"Electrical and optical properties of NO and H2S adsorption on Arsenic Phosphorus","authors":"Yingying Zhang, K. Zheng, Xianping Chen, Guoqi Zhang, Lian Liu, Chun-Jian Tan, Qun Yang, Junke Jiang, H. Ye","doi":"10.1109/EUROSIME.2017.7926283","DOIUrl":null,"url":null,"abstract":"With the continuous development of two dimension materials technology, found that can be used in more and more application fields. The application of new sensor based on new 2D materials with higher precision has sparked an upsurge research. Here, we study by first-principles calculations the adsorption of NO and H2S gas molecules on a monolayer arsenic-phosphorus. The simulation results testify that Si-doped AsP is sensitive to H2S gas molecule with an excellent charge transfer and a moderate adsorption energy. And then we calculate the work function of a AsP sheet to different small molecules, which means that the selective adsorption of these small molecules. Such selectivity and sensitivity to adsorption makes AsP a superior gas sensor that promises wide-ranging applications, and AsP doped with Si has great potential to be high performance catalyst.","PeriodicalId":174615,"journal":{"name":"2017 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE)","volume":"100 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2017-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2017 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/EUROSIME.2017.7926283","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

Abstract

With the continuous development of two dimension materials technology, found that can be used in more and more application fields. The application of new sensor based on new 2D materials with higher precision has sparked an upsurge research. Here, we study by first-principles calculations the adsorption of NO and H2S gas molecules on a monolayer arsenic-phosphorus. The simulation results testify that Si-doped AsP is sensitive to H2S gas molecule with an excellent charge transfer and a moderate adsorption energy. And then we calculate the work function of a AsP sheet to different small molecules, which means that the selective adsorption of these small molecules. Such selectivity and sensitivity to adsorption makes AsP a superior gas sensor that promises wide-ranging applications, and AsP doped with Si has great potential to be high performance catalyst.

查看原文本刊更多论文

NO和H2S吸附砷磷的电学和光学性质

随着二维材料技术的不断发展，发现其可用于越来越多的应用领域。基于新型二维材料的高精度新型传感器的应用引发了研究热潮。在这里，我们用第一性原理计算研究了NO和H2S气体分子在单层砷磷上的吸附。模拟结果表明，硅掺杂AsP对H2S气体分子敏感，具有良好的电荷转移和适中的吸附能。然后我们计算了一个AsP薄片对不同小分子的功函数，这意味着这些小分子的选择性吸附。这种选择性和对吸附的敏感性使AsP成为一种具有广泛应用前景的优越气体传感器，而Si掺杂AsP具有成为高性能催化剂的巨大潜力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

2017 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE)

自引率

0.00%

发文量