title: Spatial Electron-hole Separation in a One Dimensional Hybrid Organic-Inorganic Lead Iodide.
abstract: The increasing efficiency of the inorganic-organic hybrid halides has revolutionised photovoltaic research. Despite this rapid progress, the significant issues of poor stability and toxicity have yet to be suitably overcome. In this article, we use Density Functional Theory to examine (Pb2I6) · (H2DPNDI) · (H2O) · (NMP), an alternative lead-based hybrid inorganic-organic solar absorber based on a photoactive organic cation. Our results demonstrate that optical properties suitable for photovoltaic applications, in addition to spatial electron-hole separation, are possible but efficient charge transport may be a limiting factor.
authors: University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ, UK.
authors: Christopher N
authors: CN
authors: Savory
authors: University College London, Department of Chemistry, London WC1H 0AJ, UK.
authors: Robert G
authors: RG
authors: Palgrave
authors: University College London, Department of Chemistry, London WC1H 0AJ, UK.
authors: Hugo
authors: H
authors: Bronstein
authors: University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ, UK.|Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, UK.
authors: David O
authors: DO
authors: Scanlon