Inorganic photovoltaic cells based on BiFeO3: spontaneous polarization, lattice matching, light polarization and their relationship with photovoltaic performance

文献情報

出版日 2020-03-25

DOI 10.1039/D0CP01176B

インパクトファクター 3.676

著者

Chao He, Guocai Liu, Huiyan Zhao, Kun Zhao, Zuju Ma, Xingtao An

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要旨

Inorganic ferroelectric perovskite oxides are more stable than hybrid perovskites. However, their solar energy harvesting efficiency is not so good. Here, by constructing a series of BiFeO3-based devices (solar cells), we investigated three factors that influence the photovoltaic performance, namely, spontaneous polarization, terminated ion species in the interface between BiFeO3 and the electrode, and polarized light irradiation. This work was carried out under the framework of the density functional theory combined with the non-equilibrium Green's function theory under a built-in electric field or finite bias. The results showed that (1) the photocurrent is larger only under a suitable electronic band gap rather than larger spontaneous polarization; (2) the photocurrent reaches the largest value in the Bi3+ ion-terminated interface than in the case of Fe3+ or O2− with the SrTiO3 electrode; (3) the photocurrent can be largely enhanced if the polarized direction of the monochromatic light is perpendicular to the spontaneous polarization direction. These results would deepen the understanding of some experimental results of BiFeO3-based solar cells.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Inorganic photovoltaic cells based on BiFeO3: spontaneous polarization, lattice matching, light polarization and their relationship with photovoltaic performance

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