Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 139, Issue 23, Pages 8038-8043Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.7b04219
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Funding
- National Science Foundation (NSF) through the Nebraska Materials Research Science and Engineering Center (MRSEC) [DMR-1420645]
- NSF EPSCoR Track 2 grant [OIA-1538893]
- University of Nebraska Holland Computing Center
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The power-conversion efficiency (PCE) of lead halide perovskite photovoltaics has reached 22.1% with significantly improved structural stability, thanks to a mixed cation and anion strategy. However, the mixing element strategy has not been widely seen in the design of lead-free perovskites for photovoltaic application. Herein, we report a comprehensive study of a series of lead-free and mixed tin and germanium halide perovskite materials. Most importantly, we predict that RbSn0.5Ge0.5I3 possesses not only a direct bandgap within the optimal range of 0.9-1.6 eV but also a desirable optical absorption spectrum that is comparable to those of the state-of-the-art methylammonium lead iodide perovskites, favorable effective masses for high carrier mobility, as well as a greater resistance to water penetration than the prototypical inorganic-organic lead-containing halide perovskite. If confirmed in the laboratory, this new lead-free inorganic perovskite may offer great promise as an alternative, highly efficient solar absorber material for photovoltaic application.
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