.png){kind=icon}
返回
MoS2 doping for enhanced H2S detection
.png){kind=icon}
PRE
AI
DOI：10.1016/j.apsusc.2021.149026.png)
.png){kind=icon}
原文求助.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
Resistive gas sensors based on sheets of MoS2 were shown to achieve excellent sensitivity and high selectivity of detection for NO2 and NH3. However, due to the low electric response of the sheet to other molecules, the number of compatible analytes is limited. Hence, this work investigates, employing density functional theory calculations, doping of MoS2 for enhanced H2S detection. The study follows an experimental model of MoS2 doping facilitated via electron irradiation and uses P, Cl, and Ge dopants. H2S, N-2, and O-2 molecules are adsorbed at pristine and doped sheets to investigate adsorption selectivity. The results show that Ge and Cl doping has no benefit for H2S detection. In contrast, phosphorus increases charge transfer upon adsorption of H2S by 354% compared to pristine MoS2. Concurrently, the adsorption energy of H2S at P-MoS2 is relatively low, and it is shown in ab initio molecular dynamics that, the doping does not hinder the adsorption-site recovery. Still, the adsorption energy of H2S is significantly higher than in the case of O-2 and N-2 thus, the molecules are predicted to not impede the H2S adsorption at the doping site. Hence, the investigation predicts an enhanced response to H2S facilitated via P doping.
Keyword:
H2S
MoS2
Doping
Charge transfer
Gas sensors
Density functional theory
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
6.9
论文数:
6.2W
被引数:
19.4W
机构
引用论文
Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers垂直排列的MoS2层中高度增强的气体吸附性能.png)
ACS NANO
ACS NANOIF16
PREAI
分享收藏
分享收藏Carpet-Time Democracy: Digital Photography and Social Consciousness in the Early Childhood Classroom地毯时间民主：数字摄影与社会意识在早期儿童课堂中的应用
PREAI
分享收藏分享收藏Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study甲醛分子在掺杂单层二硫化钼上的吸附: 第一性原理研究
PREAI
分享收藏
查看更多内容