2D materials and heterostructures for photocatalytic water-splitting: a theoretical perspective

Abstract Photocatalytic water-splitting for hydrogen generation by sunlight provides a new route to address energy and environmental problems. In recent years, tremendous efforts have been devoted to designing highly efficient water-splitting photocatalysts (PCs). Adequate light absorption, effective photogenerated carrier separation, and sufficiently large overpotentials for water redox are crucial in achieving high solar-to-hydrogen (STH) efficiency. These parameters thus strongly influence the design of novel photocatalytic materials. Two-dimensional (2D) PCs have flourished because of their large specific surface area ratio, short carrier migration distance compared to bulk PCs, enormous design flexibility…

• NS
  Natural Science Foundation of Chongqing

  Award: cstc2019jcyj-msxmX0376