Si-doped MoS2 Sheet as Phosgene Gas Sensor: A First Principles Study

被引：1
|
作者：
Sharma, Archana [1 ]
Khan, Md. Shahzad [2 ]
Srivastava, Anurag [2 ]
Khan, Mohd. Shahid [1 ]
Husain, Mushahid [1 ]
机构：
[1] Jamia Millia Islamia, Dept Phys, New Delhi 110025, India
[2] ABV Indian Inst Informat Technol & Management, CNT Lab, Adv Mat Res Grp, Gwalior 474015, Madhya Pradesh, India
来源：
DAE SOLID STATE PHYSICS SYMPOSIUM 2018 | 2019年 / 2115卷
关键词：
CO;
D O I：
10.1063/1.5113277
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Phosgene sensing capability of pristine and Si embedded into the S vacancy of MoS2 sheet is demonstrated using density functional theory (DFT) calculations. Phosgene is more strongly adsorbed on the Si-doped MoS2 as compared to pristine MoS2. The transport calculations show Si-doped MoS2 is more sensitive to the phosgene gas molecule than the undoped version. It is revealed that the sensitivity of MoS2-based gas sensor towards phosgene gas molecule can be effectively improved by introducing Si dopant.
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页数：4
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