∆h plays an important role in out analysis, for better understanding of later described adsorption. Different values of this parameter have a major impact on the availability of the adsorption spot for molecules or atoms. For structures with ∆h > 0, it can be beneficial in cases where more space for molecule is needed, while the negative values of ∆h could greatly reduce the possibility of adsorption for bigger molecules. Depending on the shape and size of the adsorbed molecule, it should be possible to create structure which could selectively adsorb different molecules based on described parameter. In addition, negative values of ∆h strongly suggest sp 2 type of hybridization, which leaves the p z orbital free to interact with adsorbate. If the investigated dopant facilitates positive values of ∆h it means that the geometry of the bond between it and Mo atoms relies on the p z orbital to keep it in place. In effect the dopant is much less available for the adsorption.