Journal
PHYSICAL REVIEW B
Volume 89, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.89.125203
Keywords
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Funding
- MIUR-PRIN 2010 Oxide
- IT-Seed NEWDFESCM
- IIT-SEED POLYPHEMO
- Fondazione Banco di Sardegna, Regione Autonoma della Sardegna [CRP-18013, CRP-24978]
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methylammonium lead iodide perovskites at the core of recently proposed solar cells with exceptionally large quantum conversion efficiency are studied by first-principles methods. Large absorption coefficients ( 0.030.04 nm(-1) for wavelength similar to 500 nm) and small effective masses suited for both n-type and p-type transport are obtained as a consequence of their peculiar structural and electronic characteristics. In particular, the presence of a direct gap between highly dispersed Pb( 6s)-I( 5(p)) valence bands and Pb( 6(p)) conduction bands is the key ingredient at the basis of their excellent performance in photovoltaic applications.
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