Synthesis, characterization and ab initio study of WO3 nanocubes with peculiar electrochemical properties

A non-energy intense route was used for the synthesis of highly crystalline WO3 nanocubes. The morphological studies confirmed cuboidal shape nanocrystals. Raman spectrum result synthesized sample revealed that vibrational modes correspond to those ones assigned single phase stoichiometric WO3. band gap Eg derived based on UV-Vis diffuse reflectance and found be 2.58 eV, whereas photoluminescence (PL) blue emission sample. structural electronic properties orthorhombic were studied within spin-polarized density functional theory (SDFT) using various functionals. Results indicated is non-magnetic has a direct in range 2.15–3.75 eV which depends exchange-correlation theory. electrochemical showed nanocubes exhibited peculiar behaviour. In fact, charge transfer resistances relatively enhanced may results decreasing capacitance