Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Production Based on Red Titanium Dioxide

大规模利用太阳能发电对未来的可持续发展至关重要。该项目旨在开发高性能材料，有效地将太阳能转化为氢——一种清洁燃料。从新开发的红色二氧化钛材料开始，提出改进光催化材料的新策略，并通过先进的计算方法进行评估。明确太阳能制氢的关键问题。该项目所获得的材料、知识和策略将极大地提高当前的太阳能技术，特别是将推动低成本水制氢的发展。

Large-scale generation of energy by solar conversion is critical for future sustainability. This project aims to develop high performance materials to efficiently convert solar energy to hydrogen - a clean fuel. Starting from the newly developed material red titanium dioxide, novel strategies for improved photocatalytic materials will be proposed and evaluated by advanced computational approaches. Key issues for solar-to-hydrogen conversion will be clarified. The materials, knowledge and strategies achieved by this project will dramatically enhance current solar technology and in particular will advance the development of low-cost hydrogen production from water.