Carbon Nanotube based NH3 Gas Sensor: Ab-initio Study

被引：3
|
作者：
Dandeliya, Sushmita [1 ]
Srivastava, Anurag [1 ]
机构：
[1] ABV Indian Inst Informat Technol & Management, Computat Nanosci & Technol Lab, Adv Mat Res Grp, Gwalior 474010, India
来源：
2015 IEEE INTERNATIONAL SYMPOSIUM ON NANOELECTRONIC AND INFORMATION SYSTEMS | 2015年
关键词：
Carbon Nanotube (CNT); DFT; adsorption; band structure; I-V Characteristics; GENERALIZED GRADIENT APPROXIMATION;
D O I：
10.1109/iNIS.2015.54
中图分类号：
TP [自动化技术、计算机技术];
学科分类号：
0812 ;
摘要：
The electronic and transport properties of carbon nanotube has been investigated in presence of ammonia gas molecule, using Density Functional Theory (DFT) based ab-initio approach. The model of CNT sensor has been build using zigzag (7, 0) CNT with a NH3 molecule adsorbed on its surface. The presence of NH3 molecule results in increase of CNT bandgap. From the analysis of I-V curve, it is observed that the adsorption of NH3 leads to different voltage and current curve in comparison to its pristine state confirms the presence of NH3.
引用
收藏
页码：268 / 271
页数：4
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