Nitrogen Dioxide Gas Sensor Based on Monolayer SnS: A First-Principle Study

被引：62

作者：

Hu, Fa-Fei ^{[1
]}

Tang, Hong-Yu ^{[2
]}

Tan, Chun-Jian ^{[3
]}

Ye, Huai-Yu ^{[1
]}

Chen, Xian-Ping ^{[1
]}

Zhang, Guo-Qi ^{[2
]}

机构：

[1] Chongqing Univ, Key Lab Optoelect Technol & Syst, Educ Minist China, Coll Optoelect Engn, Chongqing 400044, Peoples R China

[2] Delft Univ Technol, Elect Components Technol & Mat, NL-2628 CD Delft, Netherlands

[3] Guilin Univ Elect Technol, Fac Electromech Engn, Guilin 541004, Peoples R China

来源：

IEEE ELECTRON DEVICE LETTERS | 2017年 / 38卷 / 07期

关键词：

Density-functional theory; monolayer SnS; nitrogen dioxide; gas sensor; CHARGE-TRANSFER; ADSORPTION; MOLECULES; SENSITIVITY; NO2;

D O I：

10.1109/LED.2017.2709247

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

The sensing behavior of monolayer tin sulfide (SnS) for four gas molecules (NH3, NO2, CO, and H2O) are studied by the first-principle calculation based on density-functional theory. We calculate adsorption energy, adsorption distance, and Hirshfeld charge to estimate the adsorption ability of monolayer SnS for these gas molecules. The results demonstrate that all the gas molecules show physisorption nature. We further calculate the current-voltage (I-V) curves using the nonequilibrium Green's function formalism for evaluating the NO2 gas sensing properties. The monolayer SnS is found to be strongly sensitive to NO2 molecule dependent on moderate adsorption energy, excellent charge transfer, and significant change of I-V property before and after gas adsorption. Therefore, we suggest that monolayer SnS can be a prominent candidate for application as NO2 gas sensor.

引用

页码：983 / 986

页数：4

共 22 条

[1] NOx sensors based on semiconducting metal oxide nanostructures: Progress and perspectives [J].