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Title: Hybrid Organic–Inorganic Halides (C 5H 7N 2) 2MBr 4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission

Abstract

Low-dimensional hybrid organic–inorganic materials (HOIMs) are being widely investigated for their unique optoelectronic properties. Some of them exhibit broadband white-light (WL) luminescence upon UV excitation, providing a potential for the fabrication of single-component white-light-emitting diodes. We report new examples of low-dimensional HOIMs, based on 4-aminopyridinium (4AMP) and group 12 metals (Hg and Zn), for single-component WL emission. The 4AMP cation containing structures feature HgBr 4 and ZnBr 4 isolated tetrahedra in (C 5H 7N 2) 2HgBr 4·H 2O (1) and (C 5H 7N 2) 2ZnBr 4 (2), respectively. The presence of isolated molecular units in the zero-dimensional structures results in strongly localized charges and bright WL luminescence with corresponding Commission Internationale de l’Eclairage color coordinates of (0.34, 0.38) and (0.25, 0.26), correlated color temperatures of 5206 K (1) and 11 630 K (2), and very high color rendering indexes (CRI) of 87 (1) and 96 (2). The visibly bright WL emission at room temperature is corroborated with high measured photoluminescence quantum yield values of 14.87 and 19.18% for 1 and 2, respectively. Notably, the high CRI values for these new HOIMs exceed the commercial requirements and produce both “warm” and “cold” WL depending on the metal used (Hg or Zn).more » Based on temperature- and powder-dependent photoluminescence (PL), PL lifetimes measurements and density functional theory calculations, the broadband WL emission is assigned to the 4AMP organic molecules emission and self-trapped states.« less

Authors:
ORCiD logo [1];  [1];  [1];  [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry
  2. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Oklahoma, Norman, OK (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Oklahoma Center for the Advancement of Science and Technology (OCAST) (United States); National Science Foundation (NSF)
OSTI Identifier:
1511935
Grant/Contract Number:  
AC05-00OR22725; AR18–008; CHE-1726630
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 31; Journal Issue: 8; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Yangui, Aymen, Roccanova, Rachel, McWhorter, Timothy M., Wu, Yuntao, Du, Mao-Hua, and Saparov, Bayrammurad. Hybrid Organic–Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission. United States: N. p., 2019. Web. doi:10.1021/acs.chemmater.9b00537.
Yangui, Aymen, Roccanova, Rachel, McWhorter, Timothy M., Wu, Yuntao, Du, Mao-Hua, & Saparov, Bayrammurad. Hybrid Organic–Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission. United States. doi:10.1021/acs.chemmater.9b00537.
Yangui, Aymen, Roccanova, Rachel, McWhorter, Timothy M., Wu, Yuntao, Du, Mao-Hua, and Saparov, Bayrammurad. Wed . "Hybrid Organic–Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission". United States. doi:10.1021/acs.chemmater.9b00537.
@article{osti_1511935,
title = {Hybrid Organic–Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission},
author = {Yangui, Aymen and Roccanova, Rachel and McWhorter, Timothy M. and Wu, Yuntao and Du, Mao-Hua and Saparov, Bayrammurad},
abstractNote = {Low-dimensional hybrid organic–inorganic materials (HOIMs) are being widely investigated for their unique optoelectronic properties. Some of them exhibit broadband white-light (WL) luminescence upon UV excitation, providing a potential for the fabrication of single-component white-light-emitting diodes. We report new examples of low-dimensional HOIMs, based on 4-aminopyridinium (4AMP) and group 12 metals (Hg and Zn), for single-component WL emission. The 4AMP cation containing structures feature HgBr4 and ZnBr4 isolated tetrahedra in (C5H7N2)2HgBr4·H2O (1) and (C5H7N2)2ZnBr4 (2), respectively. The presence of isolated molecular units in the zero-dimensional structures results in strongly localized charges and bright WL luminescence with corresponding Commission Internationale de l’Eclairage color coordinates of (0.34, 0.38) and (0.25, 0.26), correlated color temperatures of 5206 K (1) and 11 630 K (2), and very high color rendering indexes (CRI) of 87 (1) and 96 (2). The visibly bright WL emission at room temperature is corroborated with high measured photoluminescence quantum yield values of 14.87 and 19.18% for 1 and 2, respectively. Notably, the high CRI values for these new HOIMs exceed the commercial requirements and produce both “warm” and “cold” WL depending on the metal used (Hg or Zn). Based on temperature- and powder-dependent photoluminescence (PL), PL lifetimes measurements and density functional theory calculations, the broadband WL emission is assigned to the 4AMP organic molecules emission and self-trapped states.},
doi = {10.1021/acs.chemmater.9b00537},
journal = {Chemistry of Materials},
number = 8,
volume = 31,
place = {United States},
year = {2019},
month = {4}
}

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