Prediction of Diamene-Based Chemosensors

This paper presents the results of systematic studies atomic structure layered bulk, bilayer, and monolayer diamene (a two-dimensional diamond recently synthesized by various methods) functionalized with fluorine hydroxyl groups chemical formulas C2F C2OH. The our calculations show that both types under discussion have a wide optical gap corresponding to absorption light in UV spectral range. formation boundary between these two layers leads significant decrease band gap. Therefore, this material, an interface fluorinated hydroxylated diamenes (C2F/C2OH structures), can be considered suitable material for converting radiation into visible orange-yellow part spectrum. adsorption acetone or water on C2F/C2OH structures changes effect photoemission is different detected analytes. presence formaldehyde ensures appearance distinct peaks spectra based C2F/C2OH. Our simulation suggest simulated used as chemically stable, lightweight materials composed common elements highly selective sensor liquid air.