I turned towards energy devices which are real hopes for the future of humankind. I have chosen to work on energy storage materials especially materials involved in lithium-ion battery. The literature review motivated me to investigate olivine phosphate as good choice to work with as Li ion battery cathode material. I faced problems to optimize …
Nudged Elastic Band (NEB) Study of LiFePO4 and Gd doped LiFePO4 Read More »
The outcomes of the Kohn-sham and Hohenberg disclosed that ground state energy could be obtained by attaining the minimum energy of an energy functional and it could be executed through the discovery of a self-consistent solution to a set of one particle equations. Which could be attained only by solving the Kohn-sham equation, an exchange-correlation …
Exchange correlation Functional for vdWs layered materials Read More »
In my research period, I decided to work on the energy storage devices which are at the heart of current research activities for the future of humankind. I have chosen to work on the energy storage materials especially the materials involved in Lithium ion battery (LIBs), Sodium ion battery (NaIBs) and potassium ion battery (KIBs). …
A DFT Study of Alkali Metal Adsorption on Bismuthene as Anode material Read More »
