钙钛矿(C6H5CH2NH3)2PbBr4拉曼光谱研究

doi:10.3964/j.issn.1000-0593(2018)06-1763-03

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Abstract Raman scattering experiment and density functional theory calculation have been applied to investigate the vibrational modes of perovskite (C₆H₅CH₂NH₃)₂PbBr₄ in the spectral range of 450～1 700 cm^-1. Comparing the experimental Raman spectrum and theoretical calculated result, it was found that density functional theory can be well applied to simulate the vibration modes oforganic part of (C₆H₅CH₂NH₃)₂PbBr₄. Furthermore, the origins of the observed Raman peaks in the spectral range of 450～1 700 cm^-1 have been assigned by comparing the results of density functional theory calculation and literature reports. In addition, it was found that the Raman peaks in this spectral range are mainly originated from the vibrational modes of organic part of (C₆H₅CH₂NH₃)₂PbBr₄.

Key words：Density functional theory；(C₆H₅CH₂NH₃)₂PbBr₄；Raman spectroscopy

Received: 2017-07-05 Accepted: 2017-11-24

ZTFLH:

O433.4

Corresponding Authors: CHEN Xiang-bai E-mail: xchen@wit.edu.cn

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https://www.gpxygpfx.com/EN/10.3964/j.issn.1000-0593(2018)06-1763-03 OR https://www.gpxygpfx.com/EN/Y2018/V38/I06/1763

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