Publications

Browse our key publications.

PUBLICATIONS BY YEAR

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KEY PUBLICATIONS

Functional materials by design

Conjugated polymers

• • Hydrogen production:
    • Why do sulfone-containing polymer photocatalysts work so well for sacrificial hydrogen evolution from water?
    • Tunable organic photocatalysts for visible-light-driven hydrogen evolution
    • Visible-light-driven hydrogen evolution using planarised conjugated polymer photocatalysts
    • Understanding structure-activity relationships in linear polymer photocatalysts for hydrogen evolution
    • Accelerated discovery of organic polymer photocatalysts for hydrogen evolution from water through the integration of experiment and theory
  • Oxygen production: Water oxidation with cobalt-loaded linear conjugated polymer photocatalysts
  • Hydrogen peroxide production: Linear conjugated polymers for solar-driven hydrogen peroxide production: The importance of catalyst stability
  • Overall water splitting: Photocatalytic overall water splitting under visible light enabled by a particulate conjugated polymer loaded with palladium and iridium
  • Organic transformations: Discovery of a covalent triazine framework photocatalyst for visible-light-driven chemical synthesis using high-throughput screening

Covalent organic frameworks (COFs)

• • Hydrogen production: Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water
  • Hydrogen peroxide production: Accelerated synthesis and discovery of covalent organic framework photocatalysts for hydrogen peroxide production
  • CO₂ reduction: A stable covalent organic framework for photocatalytic carbon dioxide reduction

π-Conjugated molecules

• • Hydrogen production:
    • Combining machine learning and high-throughput experimentation to discover photocatalytically active organic molecules
    • Controlling photocatalytic activity by self-assembly – tuning perylene bisimide photocatalysts for the hydrogen evolution reaction
  • Hydrogen peroxide production: Packing-induced selectivity switching in molecular nanoparticle photocatalysts for hydrogen and hydrogen peroxide production

Biohybrids

• • Synthetic engineering of a new biocatalyst encapsulating [NiFe]-hydrogenases for enhanced hydrogen production
  • Making the connections: physical and electric interactions in biohybrid photosynthetic systems

Digital chemistry

Autonomous robotic workflows

• • A mobile robotic chemist
  • Modular, multi-robot integration of laboratories: An autonomous solid-state workflow for powder X-Ray diffraction

Automated/robotic capabilities

• • Autonomous biomimetic solid dispensing using a dual-arm robotic manipulator
  • Go with the flow: Deep learning methods for autonomous viscosity estimations

Computational and data-driven materials design

• • HypBO: Accelerating black-box scientific experiments using experts' hypotheses
  • Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules