Journal
APPLIED SURFACE SCIENCE
Volume 495, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.apsusc.2019.143532
Keywords
Acetone; h-WO3; Sensing mechanism; DFT calculations
Categories
Funding
- National Natural Science Foundation of China [51772174, 51472145, 51272133]
- Natural Science Foundation of Shandong [ZR2013EMM016]
Ask authors/readers for more resources
DFT calculations are used to investigate the acetone sensing mechanism of PdO-modified hexagonal WO3 (001) surface. It is concluded that compared to the pure h-WO3 (001) surface, modifying the surface with PdO could increase the available adsorption sites for acetone and leads to a sharp increase in the amount of charge transferred from acetone to the surface of the material, which contributes to a decrease in the resistance of hWO(3) (n-type semiconductor material). Moreover, we found that the oxygen concentration and experimental temperature have significant effects on the acetone sensitivity of the PdO-modified h-WO3 (001) surface. In an anoxic environment, the O originating from acetone easily adsorbs on a W or Pd site. With increasing temperature, acetone desorbs from the material, explaining the optimal operating temperature of h-WO3 sensors for acetone observed in experiments. Moreover, in oxygen-rich environments, some intermediate products were generated, which suggests an alternative consideration for the interpretation of acetone sensing mechanism.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available