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Nature Research, Scientific Reports, 1(6), 2016

DOI: 10.1038/srep20626

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Spatial Electron-hole Separation in a One Dimensional Hybrid Organic–Inorganic Lead Iodide

Journal article published in 2016 by Christopher N. Savory, Robert G. Palgrave ORCID, Hugo Bronstein, David O. Scanlon ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

AbstractThe 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.