Solution Growth and Performance of CH3NH3PbCl3 Single Crystal

doi:10.15541/jim20160150

Abstract

Abstract:

Perovskite-type organic-inorganic hybrids CH₃NH₃PbX₃(X= halogen) are good application materials for solid-state solar cell devices. To study the basic performances of these perovskite compounds, growth and optical-electrical properties of the large single crystals with high quality are of great necessity. In present study, CH₃NH₃PbCl₃ single crystals with dimension of about 4 mm×3 mm×3 mm were grown by evaporation and inversion crystallization method. Powder X-ray diffraction (PXRD) of the obtained crystals powder showed that the crystals were of cubic structure, and their lattice constants were 0.56833 nm and 0.56891 nm, respectively. Fourier transform-infrared (FT-IR) and Raman spectra of the crystals were measured and the peaks were assigned. The optical properties were characterized by UV-VIS-NIR and photoluminescence spectroscopy. The results showed that the absorption edge of CH₃NH₃PbCl₃ crystal was about 423 nm, with the photoluminescence peak at 433 nm, the band gap at 2.97 eV. As compared with the optical properties of CH₃NH₃PbCl₃ thin films, CH₃NH₃PbCl₃ single crystal has application advantages in solar cell. Finally, the band structure of CH₃NH₃PbCl₃ crystal was studied by the first principle, and the band gap value was calculated to be 2.428 eV, which was in good agreement with the present experimental result.

Key words: CH₃NH₃PbCl₃ single crystal, evaporation crystallization, inversion crystallization, spectroscopy

CLC Number:

O782

WANG Wan-Fu, SU Jing, LEI Yong, ZHONG Kun, WANG Di. Solution Growth and Performance of CH₃NH₃PbCl₃Single Crystal[J]. Journal of Inorganic Materials, 2016, 31(10): 1063-1067.

Figures/Tables 6

Fig. 1 CH3NH3PbCl3 crystal grown by (a) evaporation crystallization method (T=85℃) and (b) inversion crystallization method (Heated from room temperature and kept at 50℃)

Fig. 2 Powder XRD patterns of the CH3NH3PbCl3 crystal grown by evaporation (HCl method) and inversion crystallization (DMF-DMSO method)

Fig. 3 FT-IR (a) and Raman (b) spectra of CH3NH3PbCl3

Table 1 Peak assignments of FT-IR and Raman spectra

FT-IR / cm^-1	Raman / cm^-1	Assignment
3113	3177, 3122	N-H symmetric stretching
2993	2972	C-H asymmetric stretching
2908, 2838	2833	C-H symmetric stretching
2399		H-C-N stretching
1581, 1481, 1436	1591, 1487	C-N stretching, C-H bending
1315, 1254		H-C-N bending
986, 922	977	C-N bending
710	470	N-H bending
	122	Pb-Cl stretching

Fig. 4 Absorption and fluorescence spectra (a) and band gap (b) of CH3NH3PbCl3 crystal

Fig. 5 First principles calculation of CH3NH3PbCl3 band pattern (a) and PDOS (b)

References 20

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Solution Growth and Performance of CH₃NH₃PbCl₃Single Crystal

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