Effect of formaldehyde properties on SnO clusters gas sensitivity: A DFT study.

Formaldehyde (CHO) properties such as flash point and autoignition temperature have a great effect on the temperature range of sensitivity of sensors applied to detect CHO gas. Tin dioxide nanocrystal interaction with formaldehyde is investigated from room temperature to 500 °C using transition state and density functional theory. Gibbs free energy, enthalpy, and entropy of activation and reaction are evaluated as a function of temperature.