Energy storage is an encouraging way to relieve the increasing environment and energy crises. However, it is challenging to implement its broad application owing to unsatisfactory electrode materials. 2D materials are potential candidates due to their unique physicochemical properties and geometry. There PhD. and graduate researchers who are working with Dr. Shweta at Computational & Molecular Engineering Lab for engineering 2D material like MXene and graphene and their heterostructures for promoting charge transport capability and achieving high storage capacity.

Our team aims at investigating first-principles DFT computations of these 2D materials and their heterostructures for ion batteries and hydrogen storage

Selected Publications:

1. Partha P. Dinda and Shweta Meena, “A V3C2 MXene/graphene heterostructure as a sustainable electrode material for metal ion batteries”, Journal of Physics: Condensed Matter, vol. 33, no. 17, p. 175001, 2021.

2. Sunita Saharan, Umesh Ghanekar and Shweta Meena, “Black Phosphorus/V3C2 MXene Layered Heterostructure as a Sustainable Cathode Material for Li-Ion Battery: An Ab Initio Study”, Journal of Physical Chemistry C, ACS, May 5, 2023. I