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Effects of copper or germanium additions on the stabilized formation of α-phase formamidinium lead triiodide perovskites
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1  Department of Materials Chemistry, The University of Shiga Prefecture, Hikone, Shiga, 522-8533, Japan
Academic Editor: Mimimorena Seggio

Abstract:

Formamidinium lead triiodide (FAPbI3) is one of the candidate materials for stable perovskite solar cells. There exists an optically active cubic α-FAPbI3 phase, an optically inactive hexagonal δ-FAPbI3 phase, and a one-dimensional phase. Since the δ-phase is thermodynamically stable, the structural phase transition from the α-phase to the δ-phase causes a serious problem on the photovoltaic efficiencies. The aim of this study is to investigate the effects of copper (Cu) or germanium (Ge) additions on the formation of FAPbI3. Cu or Ge were added in the present study, as a method for stabilizing the α-phase, to suppress formation of the δ-phase and one-dimensional phase. When Cu was added at the lead site, diffraction peaks of the α-phase increased. Ge addition also increased the diffraction intensity of the α-phase and decreased the diffraction intensity of PbI2. The possibility of stabilization of FAPbI3 by Cu introduction at the FA site was also demonstrated. The first-principles band calculation on the Cu-doped FAPbI3 at the FA site indicated that the total energy value of the crystal decreased. From the calculated partial density of states, the valence band and conduction band are dominated by I-p orbitals and Pb-p orbitals, respectively, and the energy level of the Cu-d orbital is formed at a position slightly lower than the valence band maximum. The effectiveness of Cu introduction in stabilizing the formation of α-FAPbI3 was also demonstrated in the synthesized FAPbI3 crystal.

Keywords: Perovskite solar cell; FAPbI3; Copper; Germanium
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