where ∆Q iso is the Löwdin charge of isolated atom and ∆Q dopant is the Löwdin charge of atom placed in the MoTe 2 layer. Löwdin charge calculations report values of electronic charge of the valence electrons, so only outer shell electrons are taken into consideration. Values of charge difference for every dopant are shown on Figure . Highest change was observed on boron, with influx of partial charge of magnitude -0.6e. This value correlate very well with high binding energy and the lowest placement of dopant from all investigated elements. This is also true for the rest of second period atoms, which share similar parameters, i.e. very strong binding and change in electronic charge. These elements accumulated the most negative charge, with values ranging from ∆Q B = -0.6e to ∆Q F = -0.47e. Third period elements show more modest changes ranging from ∆Q S = -0.2e to ∆Q S i = -0.07e. Interestingly Si, even though is showing very strong affinity to the layer, scores very low on charge transfer, when comparing to the same period atoms. Galium and arsenic show higher inflow of partial charge with values od ∆Q of -0.32e and -0.27e, compared to third period atoms. Other elements from this period show comparable or higher values, with bromine being close to no-change in partial charge compared to isolated atom. As for the rest of investigated dopants ∆Q is hovering around -0.1e, with exceptions of iodine and bromine. The last pair are the only dopants that show the loss of net electronic charge. For every investigated structure it is observed that electronic charge is shifting from s orbital towards p orbitals. It is yet another fact confirming the creation of sp types of hybridization between the Mo and X atoms. It is evident that as the period number grows and covalent radius of elements get bigger, dopants place higher in the structure. This in turn lead to more sp 3 -like bond for dopants like As or Se, while B and C favour in-plane sp 2 -like hybrydization. Characterization of this interaction is important enough because different types of hybrydization lead to different interactions with adsorbates on the surface. sp 2 hybridzation means that p z orbital is free to interact with adsorbate. When dopant shows sp 3 -like hybrydization, the p z orbital is used in creating that bond, meaning that it will be harder for adsorbate to bond with this element. On the other hand, the lower the dopant is in the layer the harder it is for molecule to find proper adsorption spot. Atoms that placed higher got the upper hand in this perspective.