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Article ; Online: Establishing the limits of efficiency of perovskite solar cells from first principles modeling.

Grånäs, Oscar / Vinichenko, Dmitry / Kaxiras, Efthimios

Scientific reports

2016  Volume 6, Page(s) 36108

Abstract: The recent surge in research on metal-halide-perovskite solar cells has led to a seven-fold ... chemical space with the perovskite structure. Here, using first-principles calculations and thermodynamic ... of the solar cell as a whole. Our results provide a useful framework for experimental searches toward more efficient ...

Abstract The recent surge in research on metal-halide-perovskite solar cells has led to a seven-fold increase of efficiency, from ~3% in early devices to over 22% in research prototypes. Oft-cited reasons for this increase are: (i) a carrier diffusion length reaching hundreds of microns; (ii) a low exciton binding energy; and (iii) a high optical absorption coefficient. These hybrid organic-inorganic materials span a large chemical space with the perovskite structure. Here, using first-principles calculations and thermodynamic modelling, we establish that, given the range of band-gaps of the metal-halide-perovskites, the theoretical maximum efficiency limit is in the range of ~25-27%. Our conclusions are based on the effect of level alignment between the perovskite absorber layer and carrier-transporting materials on the performance of the solar cell as a whole. Our results provide a useful framework for experimental searches toward more efficient devices.
Language English
Publishing date 2016-11-08
Publishing country England
Document type Journal Article ; Research Support, U.S. Gov't, Non-P.H.S. ; Research Support, Non-U.S. Gov't
ZDB-ID 2615211-3
ISSN 2045-2322 ; 2045-2322
ISSN (online) 2045-2322
ISSN 2045-2322
DOI 10.1038/srep36108
Database MEDical Literature Analysis and Retrieval System OnLINE

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