First Principles Catalyst Design Towards an Environmentally Clean and Energy Efficient Future

点击翻译按钮获取中文摘要

This Proposal will explore through first-principles calculations novel catalytic materials critical for the advancement of hydrogen production and fuel-cell performance, as a viable clean energy source. Theory and computation in forefront sciences plays a crucial role not only in understanding and guiding experiment, but in prediciting new (potential) structures and processes. This project will involve collaboration with leading international experts, thus enhancing Australias knowledge base and research capacity. This work will raise the profile of Australian-lead research, and afford a deeper integration into global reseach programs.