149 / 2021-04-18 11:56:06

Gas-sensitive Properties of Adsorping Toxic Gases on Antimonene Nanoribbons

First principles calculation; Toxic gas molecules; Adsorption capacity; Sensitivity

Compound Semiconductor Materials, and Optoelectro- nic Devices > Compound Semiconductor Materials, Devices and Technologies

    It is well known that the detection of toxic gas is crucial for the protection of ecological enviornment and the healthy of human beings. Here, we investigated the adsorption capacity of six toxic gas molecules(PH₃,H₂S, SO₂, NH₃, NO and NO₂) on zigzag antimonene nanoribbons (ZSbNR), based on the first principles calculation method. The calculation results revealed that the PH₃ and H₂S are weak adsorption on ZSbNR, while NO₂ forms a chemical bond with ZSbNR.  It is also found that the stronng adsorption energy and obvious charge transfer for SO₂, NO and NH₃, which is benefit to detect them.  Finally, we calculated the transport properties of these adsorption systems, and found that the  significant changes in current for SO₂, NO and NH₃ before and after adsorption, where NO shows the largest change with a sensitivity of 245%.  Based on the above results, it is extremely possible that ZSbNR can be used as a  gas-sensing devices for SO₂, NO and NH₃.