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Abstract
Hybrid organic-inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is composed of 1D chains, 2D layers are formed in the ternary cesium and hybrid methylammonium antimony sulfide compounds. In each case, a stereochemically active Sb 5s2 lone pair is found, resulting in a distorted coordination environment for the Sb cations. The bandgap of the binary sulfide is found to increase, while the ionization potential also changes, upon transition to the more complex compounds. Based on the predicted electronic structure, device configurations are suggested to be suitable for photovoltaic applications.
Original language | English |
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Pages (from-to) | 5009-5014 |
Number of pages | 6 |
Journal | Journal of Physical Chemistry Letters |
Volume | 6 |
Issue number | 24 |
Early online date | 1 Dec 2015 |
DOIs | |
Publication status | Published - 17 Dec 2015 |
Keywords
- organic-inorganic solar absorbers
- perovskites
- semiconductors
- solar cells
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Dive into the research topics of 'Assessment of hybrid organic-inorganic antimony sulfides for earth-abundant photovoltaic applications'. Together they form a unique fingerprint.Projects
- 1 Finished
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Multi-Scale Modelling of Hybrid Perovskites for Solar Cells
Walsh, A. (PI)
Engineering and Physical Sciences Research Council
1/02/15 → 31/01/18
Project: Research council