Rational design of a high-efficiency, multivariate metal–organic framework phosphor for white LED bulbs

Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing

doi:10.1039/c9sc05721h

Rational design of a high-efficiency, multivariate metal–organic framework phosphor for white LED bulbs

Journal Article · Fri Jan 10 00:00:00 EST 2020 · Chemical Science

DOI:https://doi.org/10.1039/c9sc05721h· OSTI ID:1760221

Lustig, William P. ^[1]; Shen, Zeqing ^[2]; ^[3]; Javed, Nasir ^[2]; Velasco, Ever ^[2]; ^[2]; ^[2]

Department of Chemistry & Chemical Biology; Rutgers University; Piscataway; USA
Rutgers Univ., Piscataway, NJ (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Developing rare-earth element (REE) free yellow phosphors that can be excited by 455 nm blue light will help to decrease the environmental impact of manufacturing energy efficient white light-emitting diodes (WLEDs), decrease their cost of production, and accelerate their adoption across the globe. Luminescent metal–organic frameworks (LMOFs) demonstrate strong potential for use as phosphor materials and have been investigated intensively in recent years. However, the majority are not suitable for the current WLED technology due to their lack of blue excitability. Therefore, designing highly efficient blue-excitable, yellow-emitting, REE free LMOFs is much needed. With an internal quantum yield of 76% at 455 nm excitation, LMOF-231 is the most efficient blue-excitable yellow-emitting LMOF phosphor reported to date. Spectroscopic studies suggest that this quantum yield could be further improved by narrowing the material's bandgap. Based on this information and guided by DFT calculations, we apply a ligand substitution strategy to produce a semi-fluorinated analogue of LMOF-231, LMOF-305. With an internal quantum yield of 88% (λ_em = 550 nm) under 455 nm excitation, this LMOF sets a new record for luminescent efficiency in yellow-emitting, blue-excitable, REE free LMOF phosphors. Temperature-dependent and polarized photoluminescence (PL) studies have provided insight on the mechanism of emission and origin of the significant PL enhancement.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1760221

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 7 Vol. 11; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

References (34)

Scarcity of Rare Earth Elements de Boer, M. A.; Lammertsma, K. ChemSusChem, Vol. 6, Issue 11 https://doi.org/10.1002/cssc.201200794	journal	September 2013
Luminescent sensors based on metal-organic frameworks Zhang, Yingmu; Yuan, Shuai; Day, Gregory Coordination Chemistry Reviews, Vol. 354 https://doi.org/10.1016/j.ccr.2017.06.007	journal	January 2018
Luminescent metal–organic frameworks and coordination polymers as alternative phosphors for energy efficient lighting devices Lustig, William P.; Li, Jing Coordination Chemistry Reviews, Vol. 373 https://doi.org/10.1016/j.ccr.2017.09.017	journal	October 2018
Metal–Organic Frameworks as Platforms for Functional Materials Cui, Yuanjing; Li, Bin; He, Huajun Accounts of Chemical Research, Vol. 49, Issue 3 https://doi.org/10.1021/acs.accounts.5b00530	journal	February 2016
Microporous Metal–Organic Frameworks for Adsorptive Separation of C5–C6 Alkane Isomers Wang, Hao; Li, Jing Accounts of Chemical Research, Vol. 52, Issue 7 https://doi.org/10.1021/acs.accounts.8b00658	journal	March 2019
Molecular Association-Induced Emission Shifts for E / Z Isomers and Selective Sensing of Nitroaromatic Explosives Hurlock, Matthew J.; Kan, Yuwei; Lécrivain, Thibaut Crystal Growth & Design, Vol. 18, Issue 10 https://doi.org/10.1021/acs.cgd.8b01065	journal	August 2018
Nanomedicine Applications of Hybrid Nanomaterials Built from Metal–Ligand Coordination Bonds: Nanoscale Metal–Organic Frameworks and Nanoscale Coordination Polymers He, Chunbai; Liu, Demin; Lin, Wenbin Chemical Reviews, Vol. 115, Issue 19 https://doi.org/10.1021/acs.chemrev.5b00125	journal	April 2015
Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D. Inorganic Chemistry, Vol. 55, Issue 15 https://doi.org/10.1021/acs.inorgchem.6b00835	journal	June 2016
Chromophore-Based Luminescent Metal–Organic Frameworks as Lighting Phosphors Lustig, William P.; Wang, Fangming; Teat, Simon J. Inorganic Chemistry, Vol. 55, Issue 15 https://doi.org/10.1021/acs.inorgchem.6b00897	journal	May 2016
Metal–Organic Frameworks in Solid–Gas Phase Catalysis Wang, Cheng; An, Bing; Lin, Wenbin ACS Catalysis, Vol. 9, Issue 1 https://doi.org/10.1021/acscatal.8b04055	journal	November 2018
A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds Sosa, Carlos; Andzelm, Jan; Elkin, Brad C. The Journal of Physical Chemistry, Vol. 96, Issue 16 https://doi.org/10.1021/j100195a022	journal	August 1992
Rigidifying Fluorescent Linkers by Metal–Organic Framework Formation for Fluorescence Blue Shift and Quantum Yield Enhancement Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K. Journal of the American Chemical Society, Vol. 136, Issue 23 https://doi.org/10.1021/ja5006866	journal	May 2014
Solution Processable MOF Yellow Phosphor with Exceptionally High Quantum Efficiency Gong, Qihan; Hu, Zhichao; Deibert, Benjamin J. Journal of the American Chemical Society, Vol. 136, Issue 48 https://doi.org/10.1021/ja509446h	journal	November 2014
Systematic Tuning of the Luminescence Output of Multicomponent Metal–Organic Frameworks Cornelio, Joel; Zhou, Tian-You; Alkaş, Adil Journal of the American Chemical Society, Vol. 140, Issue 45 https://doi.org/10.1021/jacs.8b09887	journal	October 2018
The chemistry of metal–organic frameworks for CO2 capture, regeneration and conversion Trickett, Christopher A.; Helal, Aasif; Al-Maythalony, Bassem A. Nature Reviews Materials, Vol. 2, Issue 8 https://doi.org/10.1038/natrevmats.2017.45	journal	July 2017
Reducing aggregation caused quenching effect through co-assembly of PAH chromophores and molecular barriers Huang, Yinjuan; Xing, Jie; Gong, Qiuyu Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-08092-y	journal	January 2019
Achieving exceptionally high luminescence quantum efficiency by immobilizing an AIE molecular chromophore into a metal–organic framework Hu, Zhichao; Huang, Guangxi; Lustig, William P. Chemical Communications, Vol. 51, Issue 15 https://doi.org/10.1039/C4CC07642G	journal	January 2015
Chromophore-immobilized luminescent metal–organic frameworks as potential lighting phosphors and chemical sensors Wang, Fangming; Liu, Wei; Teat, Simon J. Chemical Communications, Vol. 52, Issue 67 https://doi.org/10.1039/C6CC05290H	journal	January 2016
Metal–organic frameworks: functional luminescent and photonic materials for sensing applications Lustig, William P.; Mukherjee, Soumya; Rudd, Nathan D. Chemical Society Reviews, Vol. 46, Issue 11 https://doi.org/10.1039/C6CS00930A	journal	January 2017
Potential of microporous metal–organic frameworks for separation of hydrocarbon mixtures Bao, Zongbi; Chang, Ganggang; Xing, Huabin Energy & Environmental Science, Vol. 9, Issue 12 https://doi.org/10.1039/C6EE01886F	journal	January 2016
Metal–organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents Bobbitt, N. Scott; Mendonca, Matthew L.; Howarth, Ashlee J. Chemical Society Reviews, Vol. 46, Issue 11 https://doi.org/10.1039/C7CS00108H	journal	January 2017
Gas/vapour separation using ultra-microporous metal–organic frameworks: insights into the structure/separation relationship Adil, Karim; Belmabkhout, Youssef; Pillai, Renjith S. Chemical Society Reviews, Vol. 46, Issue 11 https://doi.org/10.1039/C7CS00153C	journal	January 2017
Metal–organic framework-based materials: superior adsorbents for the capture of toxic and radioactive metal ions Li, Jie; Wang, Xiangxue; Zhao, Guixia Chemical Society Reviews, Vol. 47, Issue 7 https://doi.org/10.1039/C7CS00543A	journal	January 2018
Photochemistry and photophysics of MOFs: steps towards MOF-based sensing enhancements Dolgopolova, Ekaterina A.; Rice, Allison M.; Martin, Corey R. Chemical Society Reviews, Vol. 47, Issue 13 https://doi.org/10.1039/C7CS00861A	journal	January 2018
A new mixing of Hartree–Fock and local density‐functional theories Becke, Axel D. The Journal of Chemical Physics, Vol. 98, Issue 2 https://doi.org/10.1063/1.464304	journal	January 1993
Environmental Defects And Economic Impact On Global Market Of Rare Earth Metals Charalampides, G.; Vatalis, K.; Karayannis, V. IOP Conference Series: Materials Science and Engineering, Vol. 161 https://doi.org/10.1088/1757-899X/161/1/012069	journal	November 2016
Density-functional exchange-energy approximation with correct asymptotic behavior Becke, A. D. Physical Review A, Vol. 38, Issue 6 https://doi.org/10.1103/PhysRevA.38.3098	journal	September 1988
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Lee, Chengteh; Yang, Weitao; Parr, Robert G. Physical Review B, Vol. 37, Issue 2 https://doi.org/10.1103/PhysRevB.37.785	journal	January 1988
WinGX suite for small-molecule single-crystal crystallography Farrugia, Louis J. Journal of Applied Crystallography, Vol. 32, Issue 4 https://doi.org/10.1107/S0021889899006020	journal	August 1999
A short history of SHELX Sheldrick, George M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122 https://doi.org/10.1107/S0108767307043930	journal	December 2007
An empirical correction for absorption anisotropy Blessing, R. H. Acta Crystallographica Section A Foundations of Crystallography, Vol. 51, Issue 1 https://doi.org/10.1107/S0108767394005726	journal	January 1995
PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors Spek, Anthony L. Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 9-18 https://doi.org/10.1107/S2053229614024929	journal	January 2015
Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation Godbout, Nathalie; Salahub, Dennis R.; Andzelm, Jan Canadian Journal of Chemistry, Vol. 70, Issue 2 https://doi.org/10.1139/v92-079	journal	February 1992
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Robert, Parr,; Chengteh, Lee,; Weitao, Yang, The University of North Carolina at Chapel Hill University Libraries https://doi.org/10.17615/zrp0-ry04	text	January 1988

Similar Records

Luminescent MOFs (LMOFs): recent advancement towards a greener WLED technology

Journal Article · Mon Aug 15 20:00:00 EDT 2022 · ChemComm · OSTI ID:1978855

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Rational design of a high-efficiency, multivariate metal–organic framework phosphor for white LED bulbs

Citation Formats

References (34)

Linked Research (1)

Similar Records

Related Subjects