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- W3204361854 abstract "Three new perovskite-like iodobismuthate hybrids with two butylpyridinium cations, namely (BPY)3(Bi2I9) (1), (BPY)5(Bi2I11) (2) and (BMPY)3(Bi2I9) (3) (BPY = 1-butylpyridinium, BMPY = 1-butyl-4-methylpyridinium), were synthesized by reacting of BiI3 and butylpyridinium. Single-crystal X-ray diffraction analysis revealed that these three hybrids exhibit two types of di-nuclear cluster structures, face-sharing Bi2I93− cluster for 1 and 3, and vertex-sharing Bi2I115− cluster for 2. Their optical band gaps were determined as 2.06 eV(1), 2.01 eV(2), 1.86 eV(3), respectively. DFT calculation reveals that their valence band tops and conduction band bottoms are composed of the states of iodine and pyridinium cations, respectively. Therefore these materials were classified as charge-transfer salts. Compared with similar iodobismuthates, their band gaps are significantly reduced. In addition, it is found that the band gaps should be affected by supramolecular interaction between cations in 2 and also by the conformational multiplicity of cations in structure 3. Photocurrent response test showed that these charge-transfer salts have rapid and consistent photocurrent response. This result indicated their potential applications as a photocatalyst or a photovoltaic absorber." @default.
- W3204361854 created "2021-10-11" @default.
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- W3204361854 date "2021-12-01" @default.
- W3204361854 modified "2023-10-18" @default.
- W3204361854 title "Synthesis, crystal structure, optoelectric properties and theoretical study of three perovskite-like iodobismuthate charge-transfer salts based on butylpyridinium" @default.
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- W3204361854 doi "https://doi.org/10.1016/j.jssc.2021.122611" @default.
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