Effect of humidity on gas sensing properties of tin dioxide toward carbon monoxide: A first principle study

摘要

In this study ab initio quantum mechanical calculations (DFT Method) were performed to investigate sensing properties of tin dioxide toward carbon monoxide in humid and dry environment. The most relevant CO and HO adsorption configurations were analyzed by estimating of their adsorption energy, bond length and charge transfer. The experimental measurements for gas detection along with our findings show that the CO adsorption is less favorite in more humid environment.