TY - JOUR
T1 - Lead-Free Broadband Orange-Emitting Zero-Dimensional Hybrid (PMA)3InBr6 with Direct Band Gap
AU - Chen, Da
AU - Hao, Shiqiang
AU - Zhou, Guojun
AU - Deng, Chenkai
AU - Liu, Quanlin
AU - Ma, Shulan
AU - Wolverton, Christopher
AU - Zhao, Jing
AU - Xia, Zhiguo
N1 - Funding Information:
This work was funded by the Beijing Natural Science Foundation (2182080) and the National Natural Science Foundation of China (51702329). This work was also supported by the Fundamental Research Funds for the Central Universities FRF-TP-18-005A1. S.H. and C.W. (DFT calculations) acknowledge support from the Department of Energy, Office of Science Basic Energy Sciences under grant DE-SC0014520. Access to QUEST, the supercomputing resources facilities at Northwestern University, is also acknowledged.
Publisher Copyright:
© 2019 American Chemical Society.
PY - 2019/11/18
Y1 - 2019/11/18
N2 - Low-dimensional organic-inorganic hybrid metal halides have emerged as broadband light emitters for phosphor-converted white light-emitting diodes (WLEDs). Herein, we report a new zero-dimensional (0-D) lead-free metal halide (PMA)3InBr6 [PMA+: (C6H5CH2NH3)+] that crystallizes in the monoclinic system with P21/c space group. The structure consists of slightly distorted [InBr6]3- octahedra surrounded by organic PMA+ cations. The direct band gap characteristic of (PMA)3InBr6 was demonstrated by density functional theory calculation, and its relatively wide band gap of 3.78 eV was experimentally determined. Upon 365 nm ultraviolet light excitation, (PMA)3InBr6 exhibited strong broadband orange luminescence with a full-width at half-maximum of ∼132 nm resulting from self-trapped exciton emission, and the photoluminescence quantum yield was determined to be ∼35%. A WLED fabricated by combining the orange-emitting (PMA)3InBr6, a green phosphor Ba2SiO4:Eu2+, and a blue phosphor BaMgAl10O17:Eu2+ exhibited a high color-rendering index of 87.0. Our findings indicate that the organic-inorganic hybrid (PMA)3InBr6 may have potential for luminescence-based applications.
AB - Low-dimensional organic-inorganic hybrid metal halides have emerged as broadband light emitters for phosphor-converted white light-emitting diodes (WLEDs). Herein, we report a new zero-dimensional (0-D) lead-free metal halide (PMA)3InBr6 [PMA+: (C6H5CH2NH3)+] that crystallizes in the monoclinic system with P21/c space group. The structure consists of slightly distorted [InBr6]3- octahedra surrounded by organic PMA+ cations. The direct band gap characteristic of (PMA)3InBr6 was demonstrated by density functional theory calculation, and its relatively wide band gap of 3.78 eV was experimentally determined. Upon 365 nm ultraviolet light excitation, (PMA)3InBr6 exhibited strong broadband orange luminescence with a full-width at half-maximum of ∼132 nm resulting from self-trapped exciton emission, and the photoluminescence quantum yield was determined to be ∼35%. A WLED fabricated by combining the orange-emitting (PMA)3InBr6, a green phosphor Ba2SiO4:Eu2+, and a blue phosphor BaMgAl10O17:Eu2+ exhibited a high color-rendering index of 87.0. Our findings indicate that the organic-inorganic hybrid (PMA)3InBr6 may have potential for luminescence-based applications.
UR - http://www.scopus.com/inward/record.url?scp=85074512167&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85074512167&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.9b02669
DO - 10.1021/acs.inorgchem.9b02669
M3 - Article
C2 - 31652051
AN - SCOPUS:85074512167
VL - 58
SP - 15602
EP - 15609
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 22
ER -