1 Introduction:
Semiconductor materials are most important to use as photo catalyst to split water for production of refined hydrogen fuel [1,2]. Appropriate band positions are interesting parameters in splitting water by photo catalytic action. In other words, oxidation potential of water should be less positive than VBM valance band maxima and reduction potential of hydrogen must be less negative than CBM conduction band minima. SrTiO3 is significantly stable and has a large number of raw materials due to which it has sensational photo catalytic effect to split water and extract hydrogen with the help of solar energy. SrTiO3having cubic structure is a perovskite material which has a wide range of applications as it has photo catalytic activity, being used to store energy, for gas sensing, in lithium-ion batteries as anode material, RAM (random access memory) and devices which deals with microwaves [3,4]. SrTiO3 can be prepared by several techniques like hydrothermal method [5], PLD, Sol-gel [6], coprecipitation method, electrospinning method [7], polymeric precursor technique etc. [8]. and a lot of work on its pure and metal doped samples have been done to study various physical properties. We performed all of the simulations CASTEP code, which is built on DFT and uses a plane wave pseudo potential approach with no approximation of the orbital form. In this article, structural analysis, optical properties and electronic properties determined. The band gap configuration plus lattice parameters of Ag doped SrTiO3 are also investigated. The existence of new states at G-(gamma) points was related to a minor variance in the lattice parameter of Ag doped SrTiO3. We’ve seen a red change in the optical properties of SrTiO3 through Ag-doping.
The following is the outline for this article: We include the computation information in section computational details. The section results and analysis contain the results and discussion. The article finally ends with the section of conclusion.