Our group aims at understanding the charge transfer and energy transfer in low-dimensional materials, and developing high-performance energy-conversion and storage materials with the “structure-performance relationship” strategy. 

1. First-principle Calculations of Materials

  We use First-principle calculations to design materials and investigate the relationship between crystal structure and band structure. Effects of materials composition, crystal shape, size and dimension on the properties have been investigated. Band assignment at the interface has received our special attention to unveil the charge transfer process between two materials. 

2. Functional Materials for Energy Conversion and Storage

We have prepared various photocatalytic semiconductors and their composites for water-splitting. Relationship among the crystal structure, band structure and properties are the research focus. We try to exploit hybrid materials with efficient violet to near infrared light absorption and high charge carrier transport capacity. 

We also explore oxide anode materials for Lithium-ion batteries with superior energy density, power density, cycle performance and safety performance.

3. 2D Materials

 We aim at preparing monolayer/few layer materials and improving the photo-response, electric and magnetic properties. We attempt to explore the potential applications of 2D materials in photo-detectors, field-effect transistors, and water-splitting.