Hydrogen fuel is considered to be a promising candidate to replace fossil fuels. Water splitting via electrolysis is a promising avenue for generating hydrogen fuel in an efficient and sustainable manner. This project involves studying atomistic mechanisms of the electrocatalysis of water splitting applications in a variety of transition metal compounds. We use first-principles methods to understand the atomistic mechanisms through which earth-abundant electrocatalysts mediate water splitting techniques, paving the way towards a sustainable future for hydrogen generation. Students will learn basics of high-performance computing, programming, and solid-state chemistry/physics.
The Wang Materials Group is an interdisciplinary research group at the intersection of computation and materials science. Our group utilizes and deploys computational methods to engineer the optical, electronic, and transport properties of materials in energy sustainability technologies. Enabled by high performance computing (HPC), we seek to elucidate and predict the materials properties at the microscopic level using first-principles calculations, drive the exploration of novel materials platforms, and create strategies that directly couple to/guide experiments. In particular, we look to understand and harness defects in materials for optoelectronic devices. As a group, we value diversity, equity, and inclusion and strive to foster each.
Find out more at https://wangmaterialsgroup.com
More about the group and how we operate: https://wang-materials-group.gitbook.io/group-handbook/
Required:
- highly motivated with strong initiative
- comfortable with tackling open-ended questions
- work well in teams and independently
- strong communication skills (written and oral)
Preferred:
- completed courses relating to physical chemistry
- programming experience
