scholarly journals First-Principles Calculations of Gas-Sensing Properties of Pd Clusters Decorated AlNNTs to Dissolved Gases in Transformer Oil

IEEE Access ◽  
2020 ◽  
Vol 8 ◽  
pp. 162692-162700
Author(s):  
Lingna Xu ◽  
Hanshan Zhu ◽  
Yingang Gui ◽  
Yingkai Long ◽  
Qian Wang ◽  
...  
Keyword(s):  
First Principles ◽  
Gas Sensing ◽  
Transformer Oil ◽  
First Principles Calculations ◽  
Dissolved Gases ◽  
Sensing Properties ◽  
Gas Sensing Properties ◽  
Pd Clusters

scholarly journals Efficient N2- and O2-Sensing Properties of PtSe2 With Proper Intrinsic Defects

2021 ◽  
Vol 9 ◽  
Author(s):  
Xin Yong ◽  
Jianqi Zhang ◽  
Xiangchao Ma ◽  
Weiming He
Keyword(s):  
Gas Sensors ◽  
Optical Sensors ◽  
First Principles ◽  
Gas Sensing ◽  
First Principles Calculations ◽  
Electrical And Optical Properties ◽  
Sensing Properties ◽  
Gas Sensing Properties ◽  
Work First ◽  
O2 Sensing

Developing efficient N2 and O2 gas sensors is of great importance to our daily life and industrial technology. In this work, first-principles calculations are performed to study the N2 and O2 gas-sensing properties of pure and defected PtSe2. It is found that both N2 and O2 adsorb weakly on pure PtSe2, and adsorption of the molecules induces negligible changes in the electrical and optical properties. Whereas the Pt@Se anti-site defect significantly improves the N2 adsorption capacity of PtSe2 and induces notable changes in the electrical property. Similar results are also observed for the Pt and Se vacancies and Pt@Se anti-site defects when examining O2 adsorption. In addition, notable changes in the optical absorption spectra of the PtSe2 with Pt@Se defect are induced upon N2 adsorption, which also occurs for PtSe2 with Pt and Se vacancies and Pt@Se anti-site defects upon O2 adsorption. These results demonstrate that PtSe2 with the corresponding defects can be both excellent electrical and optical sensors for detecting N2 and O2 gases. Our work offers a new avenue for preparing efficient gas sensors.

Gas sensing properties of buckled bismuthene predicted by first-principles calculations

2019 ◽  
Vol 21 (21) ◽  
pp. 11455-11463 ◽  
Author(s):  
Wenfeng Pan ◽  
Ning Qi ◽  
Bin Zhao ◽  
Sheng Chang ◽  
Shizhuo Ye ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Gas Sensing ◽  
First Principles Calculations ◽  
Sensing Properties ◽  
Adsorbed Gas ◽  
Gas Sensing Properties ◽  
Gas Molecules

An investigation of the transport and optical properties of buckled bismuthene with different adsorbed gas molecules.

scholarly journals Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study

2009 ◽  
Vol 20 (18) ◽  
pp. 185504 ◽  
Author(s):  
Yong-Hui Zhang ◽  
Ya-Bin Chen ◽  
Kai-Ge Zhou ◽  
Cai-Hong Liu ◽  
Jing Zeng ◽  
...  
Keyword(s):  
First Principles ◽  
Gas Sensing ◽  
Sensing Properties ◽  
First Principles Study ◽  
Gas Sensing Properties
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