The structural, electronic, and thermodynamic properties of titanium hydride TiH2 have been investigated using the principles of density functional theory based on the coherent potential approximation (CPA) integrated in the AkaiKKR package, with the aim of reducing the high stability and decomposition temperature to create an ideal material for hydrogen storage, thereby meeting DOE (the U.S. Department of Energy) standard conditions (formation enthalpy ΔH = −40 kJ/mol.H2 and a decomposition temperature Tdes from 289 to 393 K).This study focuses particularly on the effects of titanium vacancy creation and the application of uniaxial deformation on the compound. The results show that with 12% of titanium vacancies, the formation energy increase from −122.34 kJ/mol.H2 to −40.97 kJ/mol.H2 and the temperature of desorption decreases from 936.045 K to 313.49 K, while −8% compressive uniaxial deformation achieve the value −41.42 kJ/mol.H2 and 316.97 K.