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Design and development of novel semiconducting materials systems for efficient, direct conversion of solar energy to hydrogen allows solar energy to be stored and transported in the form of a chemical fuel, so that it can be used on-demand.

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Competitive advantage

  • Integrating expertise across computational materials design, a range of materials fabrication techniques, advanced characterisation and device testing. This allows a holistic approach covering all stages from design to testing, thus accelerating materials development.


  • New materials that can absorb energy from sunlight and convert it to hydrogen
  • Atomic-level understanding, derived from computational studies, of the light absorption and surface catalytic properties of novel materials

Successful applications

  • Prediction and confirmation of a new materials system with photoactivity extending to longer wavelengths than most existing materials.

Capabilities and facilities

  • High-performance computing capabilities
  • Expertise in applying computational materials science to designing new materials and understanding materials performance across a range of applications, including photocatalysis, photovoltaics, battery materials and catalysis