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Updated: Jul 4, 2025

Harvesting Solar Energy by Means of Charge-Separating Nanocrystals and Their Solids
Published on: August 23, 2012
Modeling photo-generated charge extraction in bulk heterojunction nanoparticles
Nigel Clarke1, Gavin A Buxton2
1Department of Physics and Astronomy, University of Sheffield, S3 7RH, Sheffield, UK. n.clarke@sheffield.ac.uk.
Abstract:
We present a drift-diffusion model for predicting currents generated through the absorption of solar energy inside bulk heterojunction organic nanoparticles, which are, for example, promising nanomaterials for photo-catalytic water splitting. By coupling a model of the internal microstructure of the nanoparticle with the electronic properties, we show how different characteristics of the microstructure influence the efficiency of the conversion of solar energy into electrical energy. Our model provides a foundation for using computational modeling to optimize the design of photocatalytic nanoparticles.
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