Blending Ionic and Coordinate Bonds in Hybrid Semiconductor Materials: A General Approach toward Robust and Solution-Processable Covalent/Coordinate Network Structures

Hei, Xiuze; Liu, Wei; Zhu, Kun; Teat, Simon J.; Jensen, Stephanie; Li, Mingxing; O'Carroll, Deirdre M.; Wei, Kevin; Tan, Kui; Cotlet, Mircea; Thonhauser, Timo; Li, Jing

doi:10.1021/jacs.9b13772

Blending Ionic and Coordinate Bonds in Hybrid Semiconductor Materials: A General Approach toward Robust and Solution-Processable Covalent/Coordinate Network Structures

Journal Article · Tue Feb 11 00:00:00 EST 2020 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.9b13772· OSTI ID:1605009

Hei, Xiuze ^[1]; Liu, Wei ^[2]; ^[3]; Teat, Simon J. ^[4]; Jensen, Stephanie ^[5]; Li, Mingxing ^[6]; ^[3]; Wei, Kevin ^[7]; ^[7]; ^[6]; Thonhauser, Timo ^[5]; ^[2]

Rutgers Univ., Piscataway, NJ (United States); Rutgers University
Shenzhen Polytechnic, Shenzhen (China); Rutgers Univ., Piscataway, NJ (United States)
Rutgers Univ., Piscataway, NJ (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Wake Forest Univ., Winston-Salem, NC (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Univ. of Texas at Dallas, Richardson, TX (United States)

Inorganic semiconductor materials are best known for their superior physical properties, as well as their structural rigidity and stability. However, the poor solubility and solution-processability of these covalently bonded network structures has long been a serious drawback that limits their use in many important applications. Here, we present a unique and general approach to synthesize robust, solution-processable, and highly luminescent hybrid materials built on periodic and infinite inorganic modules. Structure analysis confirms that all compounds are composed of one-dimensional anionic chains of copper iodide (Cu_mI_m+2^2-) coordinated to cationic organic ligands via Cu-N bonds. The choice of ligands plays an important role in the coordination mode (μ¹ -MC or μ² -DC) and Cu-N bond strength. Greatly suppressed nonradiative decay is achieved for the μ² -DC structures. Record high quantum yields of 85% (λ_ex = 360 nm) and 76% (λ_ex = 450 nm) are obtained for an orange-emitting 1D-Cu₄I₆(L₆). Temperature dependent PL measurements suggest that both phosphorescence and thermally activated delayed fluorescence contribute to the emission of these 1D-AIO compounds, and that the extent of nonradiative decay of the μ² -DC structures is much less than that of the μ1 -DC structures. More significantly, all compounds are remarkably soluble in polar aprotic solvents, distinctly different from previously reported CuI based hybrid materials made of charge-neutral Cu_mX_m (X = Cl, Br, I), which are totally insoluble in all common solvents. Finally, the greatly enhanced solubility is a result of incorporation of ionic bonds into extended covalent/coordinate network structures, making it possible to fabricate large scale thin films by solution processes

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Rutgers Univ., Piscataway, NJ (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; SC0012704; SC0019902

OSTI ID:: 1605009

Alternate ID(s):: OSTI ID: 1607985
OSTI ID: 1646875
OSTI ID: 1777952

Report Number(s):: BNL--213776-2020-JAAM

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 9 Vol. 142; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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coordination/ionic bond
copper iodide
crystal structure
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photoluminescence
solution processability
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Blending Ionic and Coordinate Bonds in Hybrid Semiconductor Materials: A General Approach toward Robust and Solution-Processable Covalent/Coordinate Network Structures

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