accelerating the discovery and in-depth understanding of photocatalysts and photoactive material for solar-driven co2 reduction reaction.

The research in Thrust 2 involves the following themes:

  • Use of experiment and theory to accelerate the identification of semiconductor materials with appropriate band energetics for efficient photocatalysis.
  • Development and characterization of materials for protection of light absorbers to achieve robust photocatalysis with large photovoltage.
  • Understanding and control of catalytic activity and selectivity at the surfaces of photoactive materials.
  • Design of photonic motifs to enhance light harvesting and photocatalysis.

Thrust 2 Coordinator is Dr. John Gregoire


Recent Highlight

Ping, Y., Sundararaman, R. & Goddard, W. A. Solvation effects on the band edge positions of photocatalysts from first principles. Physical Chemistry Chemical Physics, DOI: 10.1039/C5CP05740J (2015)

How Can Theory Help with Rapid Screening of Promising Photocatalysts in Solvent?

JCAP scientists are developing novel theoretical methods to predict the effect that solvents have on material properties — and consequently the photoelectrochemical performance — inside solar-fuels generators.



For complete list of JCAP highlights and published work, please visit our Publications and Research Highlights pages.