Office: QNC 3612
Email: bgill@uwaterloo.ca
Linkedin: https://www.linkedin.com/in/baltej-singh-gill-3026b57b/
Google Scholar: https://scholar.google.ca/citations?hl=en&user=Tp2f4cYAAAAJ
Research Areas:
- Ab-initio modelling of electronic structure, thermodynamics and kinetic behaviour of materials and interfaces in batteries.
- Structure-properties relationship in solid ion conductors.
- New materials discovery using high-throughput computation and machine learning methods.
My research aims to advance scientific knowledge in the field of next-generation battery materials and interfaces by utilizing cutting-edge computational methods to explore the thermodynamic stability, ion kinetics, and mechanical properties of lithium (Li) and sodium (Na) based battery materials. By leveraging high throughput materials simulations on available databases, I aim to uncover innovative materials with exceptional ionic diffusivity and remarkable framework stability. These findings contribute to the development of new material descriptors, enabling a more generalized approach to material discovery. Moreover, I delve into the growth mechanisms and underlying causes of interface instabilities in solid state batteries utilizing the principles of physics and surface chemistry. Understanding of these interfacial phenomena enable me to propose effective solutions to address these challenges and provide valuable guidance to experimentalists. Furthermore, I explore the intricate relationship between the structure and properties of battery materials. This entails studying how these materials behave under diverse conditions such as temperature, pressure, and chemical environments. To accomplish this, I employ a combination of experimental techniques and theoretical simulations, allowing me to examine both the local and bulk structure of the materials.
