Mridula Dixit Bharadwaj

Access to electricity can bring about a transformative change in the economic conditions and growth of any country. Decentralised solar energy solutions like solar lanterns, solar home lighting systems, rooftop Photovoltaic (PV) systems, and solar micro-grids and mini-grids have been in use for quite some time. In this study, for select sites considered in Karnataka, we analysed the feasibility of Solar PV Micro Grids (SPVMGs), considering its potential as a promising solution for electrifying rural homes and villages.

Indigenisation of Lithium-ion battery manufacturing: A Techno-Economic Feasibility Assessment

In 2017, Karnataka became the first Indian state to announce an EV Policy. In this project, CSTEP identified key barriers in large-scale EV penetration, towards preparing a long-term implementation plan for public electric bus (e-bus) transportation for Bengaluru.

Large-scale penetration of EV comes with a plethora of sectoral planning challenges and will require coordinated planning between the transport, urban planning and power sectors. This report examines the charging energy requirement in order to transition to an all electric transportation sector (4-wheelers and buses), by 2030.

Indian Rare Earth Industry: Need and Opportunity for Revival and Growth

High energy density Li-rich layered cathode materials suffer from structural instability at high voltage. It is known that oxygen stability influence the structural stability of Li2MO3 (M=Co/Mn/Ni). Oxygen stability with partial de-lithiation has not been clarified in presence of multiple d-orbital elements. This work presents density functional theory based study of Li1.17Ni0.17Mn0.67O2. In the series of Li-rich compounds, end point material is Li2MnO3, in which oxidation of Mn4+ compensates with oxidation of O2- to O2 while charging.

We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the ionic solvation shells of alkali ions and halide ions in aqueous solution. Several structural and dynamical properties such as radial distribution functions (RDFs), diffusivity, velocity autocorrelation function (VACF), etc. are computed to obtain a microscopic picture of solvation.

We simulate substitution of various elements (X = Be, Mg, Al, Ga, Si and Ti) for Co using first-principles density functional theory and predict changes in its electrochemical potential. While the electrochemical potential of LiCoO2 is enhanced with substitution of Be, Mg, Al and Ga for Co, an opposite effect is predicted of Si and Ti substitution.

Olivine silicates LiMSiO4 (where M = Mn, Fe, Co, and Ni) are promising candidates for the next generation of cathode materials for use in lithium ion batteries (LIB). Among these compounds, LiFeSiO4 is an attractive choice due to its low cost, environmental friendliness, high safety, and stability In this work, we use first-principles density functional theory-based calculations to determine the structural and electrochemical properties of olivine-type LiFeSiO4 and LiFe05M05SiO4 (where M = Mg or Al). 

Sodium-ion battery (NIB) cathode performance based on ammonium vanadate is demonstrated here as having high capacity, long cycle life and good rate capability. The simple preparation process and morphology study enable us to explore this electrode as suitable NIB cathode. Furthermore, density functional theory (DFT) calculation is envisioned for the NH4V4O10 cathode, and three possible sodium arrangements in the structure are depicted for the first time.