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Electron?hole separation in ferroelectric oxides for efficient photovoltaic responses #MMPMID29891684
Kim D; Han H; Lee JH; Choi JW; Grossman JC; Jang HM; Kim D
Proc Natl Acad Sci U S A 2018[Jun]; 115 (26): 6566-71 PMID29891684show ga
Photovoltaics (PVs) benefitting from ferroelectric polarizations can overcome critical limitations of conventional type PVs. In this class, Bi2FeCrO6 is known to be the best-performing material; however, a fundamental understanding of the origin is lacking, which has limited further performance improvements. Here, we carried out a theoretical investigation of the electronic structure of this material. As a result, electron?hole (e-h) pairs are observed to separate upon photoexcitation, which can be a dominant underlying mechanism for the exceptional PV responses. Based on this understanding, we further suggest five novel materials that can offer a combination of strong e-h separations and visible-light absorptions. We expect the community of ferroelectric PVs to immediately benefit from the features of the new suggested materials.