材料科学
氨
吸附
分子
费米能级
电子转移
密度泛函理论
基质(水族馆)
选择性
化学物理
纳米技术
化学工程
分析化学(期刊)
电子
光化学
化学
物理化学
催化作用
计算化学
地质学
工程类
量子力学
海洋学
物理
有机化学
生物化学
色谱法
作者
Sukhwinder Singh,Jyotirmoy Deb,Utpal Sarkar,Sandeep Sharma
标识
DOI:10.1021/acsanm.0c02011
摘要
We report a highly sensitive and selective ammonia (NH3) gas sensor made from liquid exfoliated MoSe2 nanosheets. The powder obtained after exfoliation was used to make a two-terminal sensor on a quartz substrate with predeposited silver contacts. The device so obtained, exhibited excellent sensitivity (5.5%) at an ammonia concentration down to 1 ppm, a fast response and recovery time of 15 and 135 s, respectively, better reproducibility, and impressive selectivity against various gases at room temperature. Moreover, density functional theory (DFT) simulations were used to understand the adsorption kinetic and electronic structure and therefore to shed light on the fundamentals of the sensing mechanism. Bader analysis was performed to understand the charge transfer process between the adsorbed ammonia gas molecule and underlying MoSe2 surface. The resulting analysis confirmed that the electrons transfer from NH3 molecules to MoSe2. The slight shift of the valence band toward the Fermi level which is clear from band structure analysis, along with the experimental fact that after exposure to ammonia the sensor displays an increase in resistance, indicates p-type behavior of the processed MoSe2 crystalline nanosheets. These results imply the potential use of scaled nanosheets of MoSe2 as a promising sensing material for enhanced and selective NH3 gas monitoring at room-temperature.
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