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Raman Scattering Studies of the Structural Phase Transitions in Single-Crystalline CH3NH3PbCl3

  • 주제(기타) Chemistry, Physical
  • 주제(기타) Nanoscience & Nanotechnology
  • 주제(기타) Materials Science, Multidisciplinary
  • 주제(기타) Physics, Atomic, Molecular & Chemical
  • 설명문(일반) [Bae, Soungmin; Kim, Yong-Hoon] Korea Adv Inst Sci & Technol, Sch Elect Engn, Daejeon 34141, South Korea; [Bari, Maryam; Ye, Zuo-Guang] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada; [Bari, Maryam; Ye, Zuo-Guang] Simon Fraser Univ, 4D LABS, Burnaby, BC V5A 1S6, Canada; [Trang Thi Thu Nguyen; Kim, Yejin; Jung, Hye Ri; Jo, William; Yoon, Seokhyun] Ewha Womans Univ, Dept Phys, Seoul 03760, South Korea
  • 등재 SCIE, SCOPUS
  • 발행기관 AMER CHEMICAL SOC
  • 발행년도 2020
  • 총서유형 Journal
  • URI http://www.dcollection.net/handler/ewha/000000168723
  • 본문언어 영어
  • Published As https://dx.doi.org/10.1021/acs.jpclett.0c00920
  • PubMed https://pubmed.ncbi.nlm.nih.gov/32330388

초록/요약

Methylammonium lead trihalide perovskites CH3NH3PbX3 (X = Cl, Br, and I) have recently attracted huge attention as a promising candidate for highly efficient solar cell absorber materials. To understand the physical properties of halide perovskites, we investigated the CH3NH3PbCl3 single crystal by Raman scattering spectroscopy from 80 K to room temperature. Benchmarking the phonon modes and their Raman activities obtained by density functional calculations, we successfully assign the molecular vibrations of methylammonium in the frequency range from 400 to 3300 cm(-1). In the temperature-dependent Raman scattering spectra, the internal vibrational modes of the CH3NH3+ cation are observed in the frequency range above 400 cm(-1) and a number of peaks among them show characteristic changes that reflect the phase transition occurring at about 160 K in CH3NH3PbCl3. A noticeable Raman peak at 2900 cm(-1) persists in a wide range of temperature, suggesting the existence of microcrystalline methylammonium chloride possibly left on the crystal surface from the growth process or spontaneously formed after synthesis.

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