Interaction of Water Molecule with Two-Dimensional Tin Dioxide

Abstract

Abstract Two-dimensional tin dioxide is a promising material that can be widely used in gas sensors. The interaction of water molecules with two-dimensional tin dioxide was investigated in this work using first principles (ab initio) methods. The adsorption energies, charge transfer, density of states and electron localization functions (ELF) are calculated for various adsorption structures. As a result, it was shown that during the interaction of water molecules and two-dimensional tin dioxide physical adsorption occurs (not chemical).