In this paragraph, we will show how orbital values can be applied to solving a practical problem. For this purpose, in continuation of the study of aqueous electrolytes, let us consider the ability of cations and anions to displace water from the inner layer of the electric double layer (EDL). The point of this task is to displace the electroactive component of the electrolyte water as far away from the electrode surface as possible and, as a result, to increase the electrochemical potential window and energy capacity of the batteries. Since such problem considers a potential electrolyte for a battery, we will use a Li + ion as the cation. The parameters of the anions will be calculated using the approximations obtained previously (Table .3, S3.3, S5.3). We will use graphene as the electrode because it can serve as a simplified model system representing different carbon materials for supercapacitors and batteries. By varying the ε HOMO and ε LUMO parameters in the range characteristic of anions, we will find systems with the minimal water concentration in the inner layer of EDL.