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.