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.

引用

页数：4

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