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Engineering the Bandgap and Surface Structure of CsPbCl 3 Nanocrystals to Achieve Efficient Ultraviolet Luminescence
Author(s) -
Zhang Yunqin,
Cheng Xiyue,
Tu Datao,
Gong Zhongliang,
Li Renfu,
Yang Yingjie,
Zheng Wei,
Xu Jin,
Deng Shuiquan,
Chen Xueyuan
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202017370
Subject(s) - passivation , photoluminescence , quantum yield , luminescence , nanocrystal , materials science , ultraviolet , vacancy defect , density functional theory , doping , band gap , ion , time dependent density functional theory , optoelectronics , photochemistry , nanotechnology , chemistry , optics , crystallography , computational chemistry , fluorescence , physics , organic chemistry , layer (electronics)
Herein, we report the design of novel ultraviolet luminescent CsPbCl 3 nanocrystals (NCs) with the emission peak at 381 nm through doping of cadmium ions. Subsequently, a surface passivation strategy with CdCl 2 is adopted to improve their photoluminescence quantum yield (PLQY) with the maximum value of 60.5 %, which is 67 times higher than that of the pristine counterparts. The PLQY of the surface passivated NCs remains over 50 % after one week while the pristine NCs show negligible emission. By virtue of density functional theory calculations, we reveal that the higher PLQY and better stability after surface passivation may result from the significant elimination of surface chloride vacancy (V Cl ) defects. These findings provide fundamental insights into the optical manipulation of metal ion‐doped CsPbCl 3 NCs.